N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C17H27ClN2O2 — CID 119676987

IUPACN-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(O)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(14-7-9-18-10-8-14)11-17(21)19-12-16(20)15-5-3-2-4-6-15;/h2-6,13-14,16,18,20H,7-12H2,1H3,(H,19,21);1H
InChIKeyCAPLDNGUYHBCJV-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.28
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119676987) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119676987
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC(O)c1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(14-7-9-18-10-8-14)11-17(21)19-12-16(20)15-5-3-2-4-6-15;/h2-6,13-14,16,18,20H,7-12H2,1H3,(H,19,21);1H
InChIKeyCAPLDNGUYHBCJV-UHFFFAOYSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-(2-hydroxy-2-phenylethyl)-2-piperidin-4-ylacetamide
CID 54910069
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119849977
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119850674
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119676987) is N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCC(O)c1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is CAPLDNGUYHBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13(14-7-9-18-10-8-14)11-17(21)19-12-16(20)15-5-3-2-4-6-15;/h2-6,13-14,16,18,20H,7-12H2,1H3,(H,19,21);1H.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119676987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).