1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine

C144H289N17 — CID 158524617

IUPAC1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CC[C@@H](CN2CCC(C)(C(C)(C)C)CC2)C1
InChIInChI=1S/2C19H38N2.4C18H36N2.C17H35N3.C17H34N2/c1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-17(2,3)19(7)9-12-20(13-10-19)14-16-8-11-21(15-16)18(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6;1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6/h16-17H,7-15H2,1-6H3;16H,8-15H2,1-7H3;4*15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3/t;16-;5*15-;/m.010000./s1
InChIKeyHMQHAHMFHLUTHW-LHZAOXSVSA-N
MW2259.01 g/mol
LogP29.97
Rot. Bonds16

About 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine

1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine (PubChem CID 158524617) has the molecular formula C144H289N17 and a molecular weight of 2259.01 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
PubChem CID158524617
Molecular FormulaC144H289N17
Molecular Weight2259.01 g/mol
Exact Mass2257.31
IUPAC Name1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CC[C@@H](CN2CCC(C)(C(C)(C)C)CC2)C1
InChIInChI=1S/2C19H38N2.4C18H36N2.C17H35N3.C17H34N2/c1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-17(2,3)19(7)9-12-20(13-10-19)14-16-8-11-21(15-16)18(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6;1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6/h16-17H,7-15H2,1-6H3;16H,8-15H2,1-7H3;4*15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3/t;16-;5*15-;/m.010000./s1
InChIKeyHMQHAHMFHLUTHW-LHZAOXSVSA-N
XLogP29.97
TPSA55.08 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002259.01
LogP ≤ 529.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine (CID 158524617) is 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine is CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CC[C@@H](CN2CCC(C)(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
The InChIKey is HMQHAHMFHLUTHW-LHZAOXSVSA-N. The full InChI is InChI=1S/2C19H38N2.4C18H36N2.C17H35N3.C17H34N2/c1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-17(2,3)19(7)9-12-20(13-10-19)14-16-8-11-21(15-16)18(4,5)6;4*1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6;1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6/h16-17H,7-15H2,1-6H3;16H,8-15H2,1-7H3;4*15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3/t;16-;5*15-;/m.010000./s1.
What are the key properties of 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine?
1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine has a molecular weight of 2259.01 g/mol, XLogP of 29.97, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 158524617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).