1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine

C18H34N2 — CID 22812101

IUPAC1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
SMILESC1CCN(C[C@@H]2CCCC[C@H]2CN2CCCCC2)CC1
InChIInChI=1S/C18H34N2/c1-5-11-19(12-6-1)15-17-9-3-4-10-18(17)16-20-13-7-2-8-14-20/h17-18H,1-16H2/t17-,18-/m0/s1
InChIKeyBFVMHTACUXMXSG-ROUUACIJSA-N
MW278.48 g/mol
LogP3.76
Rot. Bonds4

About 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine

1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine (PubChem CID 22812101) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
PubChem CID22812101
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
SMILESC1CCN(C[C@@H]2CCCC[C@H]2CN2CCCCC2)CC1
InChIInChI=1S/C18H34N2/c1-5-11-19(12-6-1)15-17-9-3-4-10-18(17)16-20-13-7-2-8-14-20/h17-18H,1-16H2/t17-,18-/m0/s1
InChIKeyBFVMHTACUXMXSG-ROUUACIJSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine?
The IUPAC name of 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine (CID 22812101) is 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine.
What is the SMILES notation for 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine?
The canonical SMILES for 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine is C1CCN(C[C@@H]2CCCC[C@H]2CN2CCCCC2)CC1.
What is the InChIKey of 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine?
The InChIKey is BFVMHTACUXMXSG-ROUUACIJSA-N. The full InChI is InChI=1S/C18H34N2/c1-5-11-19(12-6-1)15-17-9-3-4-10-18(17)16-20-13-7-2-8-14-20/h17-18H,1-16H2/t17-,18-/m0/s1.
What are the key properties of 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine?
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine has a molecular weight of 278.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine is sourced from PubChem (CID 22812101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).