4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride

C22H36ClNO — CID 171109278

IUPAC4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride
SMILESCC(C)(C)c1ccc(OCC2CCCCC2)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C22H35NO.ClH/c1-22(2,3)19-9-10-21(24-16-17-7-5-4-6-8-17)20(15-19)18-11-13-23-14-12-18;/h9-10,15,17-18,23H,4-8,11-14,16H2,1-3H3;1H
InChIKeyPZTHRSCGHLMYIX-UHFFFAOYSA-N
MW365.99 g/mol
LogP5.83
Rot. Bonds4

About 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride

4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride (PubChem CID 171109278) has the molecular formula C22H36ClNO and a molecular weight of 365.99 g/mol. Its IUPAC name is 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride
PubChem CID171109278
Molecular FormulaC22H36ClNO
Molecular Weight365.99 g/mol
Exact Mass365.25
IUPAC Name4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride
SMILESCC(C)(C)c1ccc(OCC2CCCCC2)c(C2CCNCC2)c1.Cl
InChIInChI=1S/C22H35NO.ClH/c1-22(2,3)19-9-10-21(24-16-17-7-5-4-6-8-17)20(15-19)18-11-13-23-14-12-18;/h9-10,15,17-18,23H,4-8,11-14,16H2,1-3H3;1H
InChIKeyPZTHRSCGHLMYIX-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.99
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
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4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
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2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride?
The IUPAC name of 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride (CID 171109278) is 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride is CC(C)(C)c1ccc(OCC2CCCCC2)c(C2CCNCC2)c1.Cl.
What is the InChIKey of 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride?
The InChIKey is PZTHRSCGHLMYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO.ClH/c1-22(2,3)19-9-10-21(24-16-17-7-5-4-6-8-17)20(15-19)18-11-13-23-14-12-18;/h9-10,15,17-18,23H,4-8,11-14,16H2,1-3H3;1H.
What are the key properties of 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride?
4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride has a molecular weight of 365.99 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-tert-butyl-2-(cyclohexylmethoxy)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 171109278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).