4-phenylmethoxypiperidine;hydrochloride

C12H18ClNO — CID 12807000

IUPAC4-phenylmethoxypiperidine;hydrochloride
SMILESCl.c1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C12H17NO.ClH/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;/h1-5,12-13H,6-10H2;1H
InChIKeyTYZNPXDFDHBMNU-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.38
Rot. Bonds3

About 4-phenylmethoxypiperidine;hydrochloride

4-phenylmethoxypiperidine;hydrochloride (PubChem CID 12807000) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-phenylmethoxypiperidine;hydrochloride.

Molecular Properties

Compound Name4-phenylmethoxypiperidine;hydrochloride
PubChem CID12807000
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-phenylmethoxypiperidine;hydrochloride
SMILESCl.c1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C12H17NO.ClH/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;/h1-5,12-13H,6-10H2;1H
InChIKeyTYZNPXDFDHBMNU-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxypiperidine;hydrochloride?
The IUPAC name of 4-phenylmethoxypiperidine;hydrochloride (CID 12807000) is 4-phenylmethoxypiperidine;hydrochloride.
What is the SMILES notation for 4-phenylmethoxypiperidine;hydrochloride?
The canonical SMILES for 4-phenylmethoxypiperidine;hydrochloride is Cl.c1ccc(COC2CCNCC2)cc1.
What is the InChIKey of 4-phenylmethoxypiperidine;hydrochloride?
The InChIKey is TYZNPXDFDHBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;/h1-5,12-13H,6-10H2;1H.
What are the key properties of 4-phenylmethoxypiperidine;hydrochloride?
4-phenylmethoxypiperidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxypiperidine;hydrochloride is sourced from PubChem (CID 12807000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).