[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone

C19H20Cl2N2O — CID 171356356

IUPAC[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESNCc1ccc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O/c20-17-6-5-16(11-18(17)21)19(24)23-9-7-15(8-10-23)14-3-1-13(12-22)2-4-14/h1-6,11,15H,7-10,12,22H2
InChIKeyGUQIPDKBJTYJHC-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.47
Rot. Bonds3

About [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone

[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 171356356) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID171356356
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESNCc1ccc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O/c20-17-6-5-16(11-18(17)21)19(24)23-9-7-15(8-10-23)14-3-1-13(12-22)2-4-14/h1-6,11,15H,7-10,12,22H2
InChIKeyGUQIPDKBJTYJHC-UHFFFAOYSA-N
XLogP4.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 23587403
[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
[7-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]quinolin-2-yl]boronic acid
CID 90207008
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[7-[hydroxy(dimethyl)silyl]naphthalen-2-yl]methanone
CID 90213570
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone (CID 171356356) is [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone is NCc1ccc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is GUQIPDKBJTYJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-17-6-5-16(11-18(17)21)19(24)23-9-7-15(8-10-23)14-3-1-13(12-22)2-4-14/h1-6,11,15H,7-10,12,22H2.
What are the key properties of [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
[4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 363.29 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)phenyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 171356356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).