2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone

C18H26ClN3O2 — CID 154705178

IUPAC2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(C(c2ccccc2)N2CCC(O)CC2)CC1
InChIInChI=1S/C18H26ClN3O2/c19-14-17(24)20-10-12-22(13-11-20)18(15-4-2-1-3-5-15)21-8-6-16(23)7-9-21/h1-5,16,18,23H,6-14H2
InChIKeyKSEKJAFXAROPSQ-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.52
Rot. Bonds4

About 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone

2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone (PubChem CID 154705178) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone
PubChem CID154705178
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(C(c2ccccc2)N2CCC(O)CC2)CC1
InChIInChI=1S/C18H26ClN3O2/c19-14-17(24)20-10-12-22(13-11-20)18(15-4-2-1-3-5-15)21-8-6-16(23)7-9-21/h1-5,16,18,23H,6-14H2
InChIKeyKSEKJAFXAROPSQ-UHFFFAOYSA-N
XLogP1.52
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 154704360
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
ethane;1-(4-hydroxypiperidin-1-yl)-1-phenylpropan-2-one
CID 143630259
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538
2-chloro-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]ethanone
CID 2050903
1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
2-chloro-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]ethanone
CID 108569413
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-yl-2-phenylethanone
CID 42886214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone (CID 154705178) is 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone is O=C(CCl)N1CCN(C(c2ccccc2)N2CCC(O)CC2)CC1.
What is the InChIKey of 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone?
The InChIKey is KSEKJAFXAROPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c19-14-17(24)20-10-12-22(13-11-20)18(15-4-2-1-3-5-15)21-8-6-16(23)7-9-21/h1-5,16,18,23H,6-14H2.
What are the key properties of 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone?
2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone has a molecular weight of 351.88 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 154705178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).