1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine

C18H37N3 — CID 156550929

IUPAC1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
SMILESCC(C)(C)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H37N3/c1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6/h16H,7-15H2,1-6H3/t16-/m1/s1
InChIKeyYSRRKWNNCHTSSZ-MRXNPFEDSA-N
MW295.51 g/mol
LogP2.91
Rot. Bonds2

About 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine

1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine (PubChem CID 156550929) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
PubChem CID156550929
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
SMILESCC(C)(C)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C18H37N3/c1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6/h16H,7-15H2,1-6H3/t16-/m1/s1
InChIKeyYSRRKWNNCHTSSZ-MRXNPFEDSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 167620888
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
(3R)-1-tert-butyl-3-propylpiperidine
CID 171581901
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 170018752
1-tert-butyl-3-(2-methylpropyl)piperidine
CID 170069578
(3S)-1-tert-butyl-3-[[4-[5-[1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidin-4-yl]-2,5-dimethylhexan-2-yl]piperidin-1-yl]methyl]piperidine
CID 170018649
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 139475119

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine (CID 156550929) is 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine is CC(C)(C)N1CCN(C[C@H]2CCCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine?
The InChIKey is YSRRKWNNCHTSSZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H37N3/c1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6/h16H,7-15H2,1-6H3/t16-/m1/s1.
What are the key properties of 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine?
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine has a molecular weight of 295.51 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 156550929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).