2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide

C17H25ClN2O2 — CID 111111278

IUPAC2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(17(22)19(2)3)20-10-8-14(9-11-20)16(21)13-4-6-15(18)7-5-13/h4-7,12,14,16,21H,8-11H2,1-3H3
InChIKeyUZJJKVUOCAKFJZ-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.56
Rot. Bonds4

About 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide

2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 111111278) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID111111278
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1CCC(C(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O2/c1-12(17(22)19(2)3)20-10-8-14(9-11-20)16(21)13-4-6-15(18)7-5-13/h4-7,12,14,16,21H,8-11H2,1-3H3
InChIKeyUZJJKVUOCAKFJZ-UHFFFAOYSA-N
XLogP2.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-carbamoyl-2-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 95187272
N,N-diethyl-2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109173
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-ethoxypropan-1-one
CID 111112283
4-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]pentan-1-one
CID 120562532
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-ylpropanamide
CID 62979413
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 111109463
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-cyclopentylethanone
CID 111112309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide (CID 111111278) is 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N1CCC(C(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is UZJJKVUOCAKFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-12(17(22)19(2)3)20-10-8-14(9-11-20)16(21)13-4-6-15(18)7-5-13/h4-7,12,14,16,21H,8-11H2,1-3H3.
What are the key properties of 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide?
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 324.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 111111278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).