N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

C15H21ClN2O2 — CID 156601728

IUPACN-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccccc2Cl)CC1CO
InChIInChI=1S/C15H21ClN2O2/c1-11(20)17-15-6-7-18(9-13(15)10-19)8-12-4-2-3-5-14(12)16/h2-5,13,15,19H,6-10H2,1H3,(H,17,20)
InChIKeyCTOPRNBHWLFIEF-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.66
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide

N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (PubChem CID 156601728) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
PubChem CID156601728
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccccc2Cl)CC1CO
InChIInChI=1S/C15H21ClN2O2/c1-11(20)17-15-6-7-18(9-13(15)10-19)8-12-4-2-3-5-14(12)16/h2-5,13,15,19H,6-10H2,1H3,(H,17,20)
InChIKeyCTOPRNBHWLFIEF-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide (CID 156601728) is N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2ccccc2Cl)CC1CO.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
The InChIKey is CTOPRNBHWLFIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(20)17-15-6-7-18(9-13(15)10-19)8-12-4-2-3-5-14(12)16/h2-5,13,15,19H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide?
N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide has a molecular weight of 296.80 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 156601728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).