2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride

C15H22Cl2N2O2 — CID 146108301

IUPAC2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CCl)NCCC1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21ClN2O2.ClH/c16-12-14(19)17-9-6-15(20)7-10-18(11-8-15)13-4-2-1-3-5-13;/h1-5,20H,6-12H2,(H,17,19);1H
InChIKeyVIRDAWKNYLBSNM-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.18
Rot. Bonds5

About 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride

2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride (PubChem CID 146108301) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride
PubChem CID146108301
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CCl)NCCC1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21ClN2O2.ClH/c16-12-14(19)17-9-6-15(20)7-10-18(11-8-15)13-4-2-1-3-5-13;/h1-5,20H,6-12H2,(H,17,19);1H
InChIKeyVIRDAWKNYLBSNM-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol
CID 106820916
4-(4-methylpentyl)-1-phenylpiperidin-4-ol
CID 106820935
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
3-[1-[4-(aminomethyl)phenyl]-4-hydroxypiperidin-4-yl]propanoic acid
CID 175476858
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
CID 91798655
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
1-amino-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119870682
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride (CID 146108301) is 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride is Cl.O=C(CCl)NCCC1(O)CCN(c2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride?
The InChIKey is VIRDAWKNYLBSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c16-12-14(19)17-9-6-15(20)7-10-18(11-8-15)13-4-2-1-3-5-13;/h1-5,20H,6-12H2,(H,17,19);1H.
What are the key properties of 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride?
2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 146108301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).