(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride

C20H25ClN2O — CID 119698759

IUPAC(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O.ClH/c21-19-10-8-18(9-11-19)20(23)22-14-12-17(13-15-22)7-6-16-4-2-1-3-5-16;/h1-5,8-11,17H,6-7,12-15,21H2;1H
InChIKeySZTONIUGTLCKLH-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.18
Rot. Bonds4

About (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride

(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119698759) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119698759
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O.ClH/c21-19-10-8-18(9-11-19)20(23)22-14-12-17(13-15-22)7-6-16-4-2-1-3-5-16;/h1-5,8-11,17H,6-7,12-15,21H2;1H
InChIKeySZTONIUGTLCKLH-UHFFFAOYSA-N
XLogP4.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid;hydrochloride
CID 22362370
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-(2-phenylethyl)piperidin-1-yl]-[6-(1H-pyrazol-5-yl)-3-pyridinyl]methanone
CID 56917055
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[4-(2-phenylethyl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 56917083
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride (CID 119698759) is (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride is Cl.Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is SZTONIUGTLCKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c21-19-10-8-18(9-11-19)20(23)22-14-12-17(13-15-22)7-6-16-4-2-1-3-5-16;/h1-5,8-11,17H,6-7,12-15,21H2;1H.
What are the key properties of (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride?
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119698759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).