(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone

C19H21ClN2O2 — CID 100693749

IUPAC(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(Nc2cccc(CO)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-4-15(5-7-16)19(24)22-10-8-17(9-11-22)21-18-3-1-2-14(12-18)13-23/h1-7,12,17,21,23H,8-11,13H2
InChIKeyYVVLLEDYWDPXLJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.55
Rot. Bonds4

About (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone (PubChem CID 100693749) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
PubChem CID100693749
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(Nc2cccc(CO)c2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-4-15(5-7-16)19(24)22-10-8-17(9-11-22)21-18-3-1-2-14(12-18)13-23/h1-7,12,17,21,23H,8-11,13H2
InChIKeyYVVLLEDYWDPXLJ-UHFFFAOYSA-N
XLogP3.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-[[4-[4-(4-chloroanilino)piperidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166410390
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
3-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]phenyl]propanoic acid
CID 122044493
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone
CID 154793754

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone (CID 100693749) is (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(Nc2cccc(CO)c2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
The InChIKey is YVVLLEDYWDPXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-6-4-15(5-7-16)19(24)22-10-8-17(9-11-22)21-18-3-1-2-14(12-18)13-23/h1-7,12,17,21,23H,8-11,13H2.
What are the key properties of (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone has a molecular weight of 344.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone is sourced from PubChem (CID 100693749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).