(3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C17H22Cl2N2O3 — CID 1489053

IUPAC(3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(O)(CN2CCOCC2)CC1
InChIInChI=1S/C17H22Cl2N2O3/c18-14-2-1-13(11-15(14)19)16(22)21-5-3-17(23,4-6-21)12-20-7-9-24-10-8-20/h1-2,11,23H,3-10,12H2
InChIKeyZJOKVRKPNFMKBE-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.29
Rot. Bonds3

About (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 1489053) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID1489053
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name(3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(O)(CN2CCOCC2)CC1
InChIInChI=1S/C17H22Cl2N2O3/c18-14-2-1-13(11-15(14)19)16(22)21-5-3-17(23,4-6-21)12-20-7-9-24-10-8-20/h1-2,11,23H,3-10,12H2
InChIKeyZJOKVRKPNFMKBE-UHFFFAOYSA-N
XLogP2.29
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-hydroxypentan-3-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 54537190
3,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 750384
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-ethyl-1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 9914111
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405732
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405758
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-butyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405764
4-(3,4-Dichlorobenzoyl)morpholine
CID 346717
N-(4-Chlorobenzoyl)morpholine
CID 225452
(3,4-Dichlorophenyl){4-[(diethylamino)methyl]-4-hydroxypiperidino}methanone
CID 1479957
(3-Chlorophenyl)[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
CID 3700490
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-1-propyl-butyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 10392319
(4-Chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 34680232

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 1489053) is (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(O)(CN2CCOCC2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZJOKVRKPNFMKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c18-14-2-1-13(11-15(14)19)16(22)21-5-3-17(23,4-6-21)12-20-7-9-24-10-8-20/h1-2,11,23H,3-10,12H2.
What are the key properties of (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 373.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-hydroxy-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 1489053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).