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

C20H25ClN2O2 — CID 119275315

IUPAC[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2.ClH/c21-14-16-6-8-18(9-7-16)20(23)22-12-10-19(11-13-22)24-15-17-4-2-1-3-5-17;/h1-9,19H,10-15,21H2;1H
InChIKeyZRJVSVVOGOLDPF-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.39
Rot. Bonds5

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

[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride (PubChem CID 119275315) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
PubChem CID119275315
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
SMILESCl.NCc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2.ClH/c21-14-16-6-8-18(9-7-16)20(23)22-12-10-19(11-13-22)24-15-17-4-2-1-3-5-17;/h1-9,19H,10-15,21H2;1H
InChIKeyZRJVSVVOGOLDPF-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
4-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]benzamide
CID 56545792
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 12806999
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
2-amino-2-phenyl-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
CID 120587581

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride (CID 119275315) is [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride is Cl.NCc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride?
The InChIKey is ZRJVSVVOGOLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c21-14-16-6-8-18(9-7-16)20(23)22-12-10-19(11-13-22)24-15-17-4-2-1-3-5-17;/h1-9,19H,10-15,21H2;1H.
What are the key properties of [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride?
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119275315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).