4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine

C22H43N3 — CID 167091256

IUPAC4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CCC(CN3CCC(C(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H43N3/c1-22(2,3)19-11-13-24(14-12-19)17-18-9-15-25(16-10-18)21-7-5-20(23-4)6-8-21/h18-21,23H,5-17H2,1-4H3
InChIKeyWPMDKTYMZIOTOJ-UHFFFAOYSA-N
MW349.61 g/mol
LogP3.99
Rot. Bonds4

About 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine

4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine (PubChem CID 167091256) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
PubChem CID167091256
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CCC(CN3CCC(C(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H43N3/c1-22(2,3)19-11-13-24(14-12-19)17-18-9-15-25(16-10-18)21-7-5-20(23-4)6-8-21/h18-21,23H,5-17H2,1-4H3
InChIKeyWPMDKTYMZIOTOJ-UHFFFAOYSA-N
XLogP3.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-[(1-piperidin-4-ylpiperidin-4-yl)methyl]piperidine
CID 176760528
4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 114763379
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 71196303
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
CID 164838588
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-dimethyl-sulfanyl-λ4-sulfane
CID 170402213
2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine
CID 65094826
1-cyclopropyl-N-methylpiperidin-4-amine;ethane
CID 142484063
4-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]cyclohexan-1-amine
CID 170022927
1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
CID 104575667

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine (CID 167091256) is 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine is CNC1CCC(N2CCC(CN3CCC(C(C)(C)C)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine?
The InChIKey is WPMDKTYMZIOTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-22(2,3)19-11-13-24(14-12-19)17-18-9-15-25(16-10-18)21-7-5-20(23-4)6-8-21/h18-21,23H,5-17H2,1-4H3.
What are the key properties of 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine?
4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine has a molecular weight of 349.61 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 167091256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).