(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C16H20Cl2N2O — CID 63259023

IUPAC(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-12(10-14(13)18)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2
InChIKeyIIHZKLFZMIIRHC-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.60
Rot. Bonds2

About (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 63259023) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID63259023
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-12(10-14(13)18)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2
InChIKeyIIHZKLFZMIIRHC-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81294449
(4-hydroxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259419
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
(3,4-diethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999371
(3-fluoro-4-methoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999600
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259247
(6-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999664
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 63259023) is (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(C2CCCN2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is IIHZKLFZMIIRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-4-3-12(10-14(13)18)16(21)20-8-5-11(6-9-20)15-2-1-7-19-15/h3-4,10-11,15,19H,1-2,5-9H2.
What are the key properties of (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 327.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 63259023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).