(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone

C15H21ClN2O3 — CID 154793754

IUPAC(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(NCC(O)CO)CC1
InChIInChI=1S/C15H21ClN2O3/c16-12-3-1-11(2-4-12)15(21)18-7-5-13(6-8-18)17-9-14(20)10-19/h1-4,13-14,17,19-20H,5-10H2
InChIKeyMREGTCZPBNJURT-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.89
Rot. Bonds5

About (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone

(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone (PubChem CID 154793754) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone
PubChem CID154793754
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(NCC(O)CO)CC1
InChIInChI=1S/C15H21ClN2O3/c16-12-3-1-11(2-4-12)15(21)18-7-5-13(6-8-18)17-9-14(20)10-19/h1-4,13-14,17,19-20H,5-10H2
InChIKeyMREGTCZPBNJURT-UHFFFAOYSA-N
XLogP0.89
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(4-chlorophenyl)-[4-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]piperidin-1-yl]methanone
CID 25097535
(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone
CID 167907037
(4-chlorophenyl)-[4-[[(2R)-1-methoxybutan-2-yl]amino]piperidin-1-yl]methanone
CID 97232471
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 100693749
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557704
[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91660684

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone (CID 154793754) is (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(NCC(O)CO)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone?
The InChIKey is MREGTCZPBNJURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c16-12-3-1-11(2-4-12)15(21)18-7-5-13(6-8-18)17-9-14(20)10-19/h1-4,13-14,17,19-20H,5-10H2.
What are the key properties of (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone has a molecular weight of 312.80 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2,3-dihydroxypropylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 154793754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).