[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride

C19H23ClN2O2 — CID 119290330

IUPAC[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c20-14-15-6-8-16(9-7-15)19(22)21-12-10-18(11-13-21)23-17-4-2-1-3-5-17;/h1-9,18H,10-14,20H2;1H
InChIKeySZPRMHPHQJKWJD-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.25
Rot. Bonds4

About [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride

[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 119290330) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
PubChem CID119290330
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O2.ClH/c20-14-15-6-8-16(9-7-15)19(22)21-12-10-18(11-13-21)23-17-4-2-1-3-5-17;/h1-9,18H,10-14,20H2;1H
InChIKeySZPRMHPHQJKWJD-UHFFFAOYSA-N
XLogP3.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
CID 134822051
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride (CID 119290330) is [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride is Cl.NCc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is SZPRMHPHQJKWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c20-14-15-6-8-16(9-7-15)19(22)21-12-10-18(11-13-21)23-17-4-2-1-3-5-17;/h1-9,18H,10-14,20H2;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119290330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).