1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine

C16H27N3 — CID 11166138

IUPAC1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESc1ncc(CCC2CCN(C3CCCCC3)CC2)[nH]1
InChIInChI=1S/C16H27N3/c1-2-4-16(5-3-1)19-10-8-14(9-11-19)6-7-15-12-17-13-18-15/h12-14,16H,1-11H2,(H,17,18)
InChIKeyISZJYWPNUNZKOV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.39
Rot. Bonds4

About 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine

1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine (PubChem CID 11166138) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
PubChem CID11166138
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
SMILESc1ncc(CCC2CCN(C3CCCCC3)CC2)[nH]1
InChIInChI=1S/C16H27N3/c1-2-4-16(5-3-1)19-10-8-14(9-11-19)6-7-15-12-17-13-18-15/h12-14,16H,1-11H2,(H,17,18)
InChIKeyISZJYWPNUNZKOV-UHFFFAOYSA-N
XLogP3.39
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The IUPAC name of 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine (CID 11166138) is 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine.
What is the SMILES notation for 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The canonical SMILES for 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine is c1ncc(CCC2CCN(C3CCCCC3)CC2)[nH]1.
What is the InChIKey of 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
The InChIKey is ISZJYWPNUNZKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-4-16(5-3-1)19-10-8-14(9-11-19)6-7-15-12-17-13-18-15/h12-14,16H,1-11H2,(H,17,18).
What are the key properties of 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine?
1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine is sourced from PubChem (CID 11166138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).