1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine

C25H48N2 — CID 139501573

IUPAC1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine
SMILESCC(C)C1CCN(C(C)(C)CCC(C)(C)C2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C25H48N2/c1-20(2)22-9-17-27(18-10-22)25(5,6)14-13-24(3,4)23-11-15-26(16-12-23)19-21-7-8-21/h20-23H,7-19H2,1-6H3
InChIKeyHJRREZGCPUOKCX-UHFFFAOYSA-N
MW376.67 g/mol
LogP6.06
Rot. Bonds8

About 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine

1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine (PubChem CID 139501573) has the molecular formula C25H48N2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine
PubChem CID139501573
Molecular FormulaC25H48N2
Molecular Weight376.67 g/mol
Exact Mass376.38
IUPAC Name1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine
SMILESCC(C)C1CCN(C(C)(C)CCC(C)(C)C2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C25H48N2/c1-20(2)22-9-17-27(18-10-22)25(5,6)14-13-24(3,4)23-11-15-26(16-12-23)19-21-7-8-21/h20-23H,7-19H2,1-6H3
InChIKeyHJRREZGCPUOKCX-UHFFFAOYSA-N
XLogP6.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-tert-butyl-4-[2,5-dimethyl-5-(1-propan-2-ylpiperidin-4-yl)hexan-2-yl]piperazine
CID 138623766
1-[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]ethanamine
CID 104575640
N-methyl-2-phosphanyl-N-[2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]propan-2-yl]propan-1-amine
CID 177318158
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 172511697
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
4-(2,4-dimethylpentan-2-yl)-1-(2-methylbutan-2-yl)piperidine
CID 153330318
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine (CID 139501573) is 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine is CC(C)C1CCN(C(C)(C)CCC(C)(C)C2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
The InChIKey is HJRREZGCPUOKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N2/c1-20(2)22-9-17-27(18-10-22)25(5,6)14-13-24(3,4)23-11-15-26(16-12-23)19-21-7-8-21/h20-23H,7-19H2,1-6H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine?
1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine has a molecular weight of 376.67 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2,5-dimethyl-5-(4-propan-2-ylpiperidin-1-yl)hexan-2-yl]piperidine is sourced from PubChem (CID 139501573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).