N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide

C16H23ClN2O2 — CID 102736611

IUPACN-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(C(C)O)cc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-11(20)14-3-4-16(15(17)9-14)19-7-5-13(6-8-19)10-18-12(2)21/h3-4,9,11,13,20H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyAWHJZGJSZGBOEX-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.75
Rot. Bonds4

About N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736611) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736611
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(C(C)O)cc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-11(20)14-3-4-16(15(17)9-14)19-7-5-13(6-8-19)10-18-12(2)21/h3-4,9,11,13,20H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyAWHJZGJSZGBOEX-UHFFFAOYSA-N
XLogP2.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]piperidin-4-yl]acetamide
CID 63372792
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide (CID 102736611) is N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(C(C)O)cc2Cl)CC1.
What is the InChIKey of N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is AWHJZGJSZGBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11(20)14-3-4-16(15(17)9-14)19-7-5-13(6-8-19)10-18-12(2)21/h3-4,9,11,13,20H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 310.83 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).