1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride

C22H30ClNO — CID 169088627

IUPAC1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride
SMILESCC1CCCCN1C(C)COc1ccccc1Cc1ccccc1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-18-10-8-9-15-23(18)19(2)17-24-22-14-7-6-13-21(22)16-20-11-4-3-5-12-20;/h3-7,11-14,18-19H,8-10,15-17H2,1-2H3;1H
InChIKeyZZPZPVMBGPBACX-UHFFFAOYSA-N
MW359.94 g/mol
LogP5.34
Rot. Bonds6

About 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride

1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride (PubChem CID 169088627) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride
PubChem CID169088627
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC Name1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride
SMILESCC1CCCCN1C(C)COc1ccccc1Cc1ccccc1.Cl
InChIInChI=1S/C22H29NO.ClH/c1-18-10-8-9-15-23(18)19(2)17-24-22-14-7-6-13-21(22)16-20-11-4-3-5-12-20;/h3-7,11-14,18-19H,8-10,15-17H2,1-2H3;1H
InChIKeyZZPZPVMBGPBACX-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.94
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride?
The IUPAC name of 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride (CID 169088627) is 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride is CC1CCCCN1C(C)COc1ccccc1Cc1ccccc1.Cl.
What is the InChIKey of 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride?
The InChIKey is ZZPZPVMBGPBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.ClH/c1-18-10-8-9-15-23(18)19(2)17-24-22-14-7-6-13-21(22)16-20-11-4-3-5-12-20;/h3-7,11-14,18-19H,8-10,15-17H2,1-2H3;1H.
What are the key properties of 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride?
1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 169088627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).