[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

C19H22ClN3O — CID 59009387

IUPAC[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-17-5-1-3-14(11-17)12-18(21)15-6-9-23(10-7-15)19(24)16-4-2-8-22-13-16/h1-5,8,11,13,15,18H,6-7,9-10,12,21H2
InChIKeyOSTIPRHVGSGGPT-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.16
Rot. Bonds4

About [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 59009387) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID59009387
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-17-5-1-3-14(11-17)12-18(21)15-6-9-23(10-7-15)19(24)16-4-2-8-22-13-16/h1-5,8,11,13,15,18H,6-7,9-10,12,21H2
InChIKeyOSTIPRHVGSGGPT-UHFFFAOYSA-N
XLogP3.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone;formic acid
CID 161030280
[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone;formic acid
CID 143151185
[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 143151156
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
(3-chlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 4745404
2-(3-chlorophenyl)-1-cyclopentylethanamine
CID 60818439
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
(5-bromo-3-pyridinyl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 8642811
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993

Frequently Asked Questions

What is the IUPAC name of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 59009387) is [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is NC(Cc1cccc(Cl)c1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is OSTIPRHVGSGGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-5-1-3-14(11-17)12-18(21)15-6-9-23(10-7-15)19(24)16-4-2-8-22-13-16/h1-5,8,11,13,15,18H,6-7,9-10,12,21H2.
What are the key properties of [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 343.86 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-amino-2-(3-chlorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 59009387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).