bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)

C110H220N12 — CID 158088285

IUPACbis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(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(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
InChIInChI=1S/2C19H38N2.4C18H36N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(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/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3/t;;4*15-/m..1100/s1
InChIKeyFNTXSFBFVUWISX-RZFQWMMOSA-N
MW1711.05 g/mol
LogP23.97
Rot. Bonds12

About bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)

bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) (PubChem CID 158088285) has the molecular formula C110H220N12 and a molecular weight of 1711.05 g/mol. Its IUPAC name is bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine).

Molecular Properties

Compound Namebis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
PubChem CID158088285
Molecular FormulaC110H220N12
Molecular Weight1711.05 g/mol
Exact Mass1709.76
IUPAC Namebis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(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(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
InChIInChI=1S/2C19H38N2.4C18H36N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(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/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3/t;;4*15-/m..1100/s1
InChIKeyFNTXSFBFVUWISX-RZFQWMMOSA-N
XLogP23.97
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001711.05
LogP ≤ 523.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 165024952
1-Tert-butylpiperazin-4-ide;1-tert-butylpiperidine;2-tert-butylpiperidin-1-ide;3-tert-butylpiperidin-1-ide;4-tert-butylpiperidin-1-ide;1-tert-butylpyrrolidine;2-tert-butylpyrrolidin-1-ide;3-tert-butylpyrrolidin-1-ide;ethane;tungsten
CID 157322500
1-[2-(1-Tert-butylpiperidin-4-yl)ethyl]-4-methylpiperazine;1-tert-butyl-4-(2-piperidin-1-ylethyl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperidine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperidine;1-(1-tert-butylpyrrolidin-3-yl)piperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 157339461
1,3-di(propan-2-yl)piperidine;tris(1,4-di(propan-2-yl)piperidine);(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
CID 157814797
8-Tert-butyl-2,8-diazaspiro[4.5]decane;3-tert-butyl-3,9-diazaspiro[5.5]undecane;2,9-diazaspiro[4.5]decane;2,7-diazaspiro[4.4]nonane;octakis(2-methylpropane);2-propan-2-yl-2,8-diazaspiro[5.5]undecane;2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 157824315
2-(2,2-Dimethylpropyl)-8-methyl-2,8-diazaspiro[4.5]decane;2-(2,2-dimethylpropyl)-9-methyl-2,9-diazaspiro[4.5]decane;8-(2,2-dimethylpropyl)-2-methyl-2,8-diazaspiro[4.5]decane;2-(2,2-dimethylpropyl)-7-methyl-2,7-diazaspiro[4.4]nonane;7-(2,2-dimethylpropyl)-1-methyl-1,7-diazaspiro[4.4]nonane;3-(2,2-dimethylpropyl)-9-methyl-3,9-diazaspiro[5.5]undecane;9-(2,2-dimethylpropyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 157922289
bis(1-tert-butyl-4-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine);bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)
CID 158176484
Carbanide;6,7,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;7,8,9,10-tetramethyl-5-azoniaspiro[4.5]decane;6,8,10-trimethyl-5-azoniaspiro[4.5]decane;6,9,10-trimethyl-5-azoniaspiro[4.5]decane;7,8,9-trimethyl-5-azoniaspiro[4.5]decane;7,8,10-trimethyl-5-azoniaspiro[4.5]decane
CID 158202630
1-Tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)-4-methylpiperidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-(4-tert-butylpiperidin-1-yl)piperidine;4-tert-butyl-1-[(1-tert-butylpyrrolidin-3-yl)methyl]-4-methylpiperidine;1-tert-butyl-4-[(1-tert-butylpyrrolidin-3-yl)methyl]piperazine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 158243569
Bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);2,6-dimethyl-2,6-diazaspiro[4.5]decane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane)
CID 158346002
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
2,8-Dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane;2,7-dimethyl-2,7-diazaspiro[4.4]nonane;3,9-dimethyl-3,9-diazaspiro[5.5]undecane
CID 158787682

Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The IUPAC name of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) (CID 158088285) is bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine).
What is the SMILES notation for bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The canonical SMILES for bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(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(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.
What is the InChIKey of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
The InChIKey is FNTXSFBFVUWISX-RZFQWMMOSA-N. The full InChI is InChI=1S/2C19H38N2.4C18H36N2/c2*1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(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/h2*16-17H,7-15H2,1-6H3;4*15-16H,7-14H2,1-6H3/t;;4*15-/m..1100/s1.
What are the key properties of bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine)?
bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) has a molecular weight of 1711.05 g/mol, XLogP of 23.97, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine);bis(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);bis(4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine) is sourced from PubChem (CID 158088285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).