1-[2-(dicyclohexylmethoxy)ethyl]piperidine

C20H37NO — CID 3025270

IUPAC1-[2-(dicyclohexylmethoxy)ethyl]piperidine
SMILESC1CCC(C(OCCN2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H37NO/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21/h18-20H,1-17H2
InChIKeySVCDWCGZAUQXOJ-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.02
Rot. Bonds6

About 1-[2-(dicyclohexylmethoxy)ethyl]piperidine

1-[2-(dicyclohexylmethoxy)ethyl]piperidine (PubChem CID 3025270) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 1-[2-(dicyclohexylmethoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(dicyclohexylmethoxy)ethyl]piperidine
PubChem CID3025270
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name1-[2-(dicyclohexylmethoxy)ethyl]piperidine
SMILESC1CCC(C(OCCN2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H37NO/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21/h18-20H,1-17H2
InChIKeySVCDWCGZAUQXOJ-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dicyclohexylmethoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(dicyclohexylmethoxy)ethyl]piperidine (CID 3025270) is 1-[2-(dicyclohexylmethoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(dicyclohexylmethoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(dicyclohexylmethoxy)ethyl]piperidine is C1CCC(C(OCCN2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 1-[2-(dicyclohexylmethoxy)ethyl]piperidine?
The InChIKey is SVCDWCGZAUQXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21/h18-20H,1-17H2.
What are the key properties of 1-[2-(dicyclohexylmethoxy)ethyl]piperidine?
1-[2-(dicyclohexylmethoxy)ethyl]piperidine has a molecular weight of 307.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dicyclohexylmethoxy)ethyl]piperidine is sourced from PubChem (CID 3025270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).