1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride

C20H38ClNO — CID 3025269

IUPAC1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride
SMILESC1CCC(C(OCCN2CCCCC2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C20H37NO.ClH/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;1H
InChIKeyVDIBCUIBCDQVHM-UHFFFAOYSA-N
MW343.98 g/mol
LogP5.44
Rot. Bonds6

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

1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride (PubChem CID 3025269) has the molecular formula C20H38ClNO and a molecular weight of 343.98 g/mol. Its IUPAC name is 1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride
PubChem CID3025269
Molecular FormulaC20H38ClNO
Molecular Weight343.98 g/mol
Exact Mass343.26
IUPAC Name1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride
SMILESC1CCC(C(OCCN2CCCCC2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C20H37NO.ClH/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;1H
InChIKeyVDIBCUIBCDQVHM-UHFFFAOYSA-N
XLogP5.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.98
LogP ≤ 55.44
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;hydrochloride?
The IUPAC name of 1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride (CID 3025269) is 1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride is C1CCC(C(OCCN2CCCCC2)C2CCCCC2)CC1.Cl.
What is the InChIKey of 1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride?
The InChIKey is VDIBCUIBCDQVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO.ClH/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;1H.
What are the key properties of 1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride?
1-[2-(dicyclohexylmethoxy)ethyl]piperidine;hydrochloride has a molecular weight of 343.98 g/mol, XLogP of 5.44, 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;hydrochloride is sourced from PubChem (CID 3025269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).