(3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone

C19H21Cl2N3O — CID 10691033

IUPAC(3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2ccccn2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-17-5-4-15(11-18(17)21)19(25)24-9-6-14(7-10-24)12-22-13-16-3-1-2-8-23-16/h1-5,8,11,14,22H,6-7,9-10,12-13H2
InChIKeyPNMHCCSTZBRPCO-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.03
Rot. Bonds5

About (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 10691033) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
PubChem CID10691033
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name(3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2ccccn2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-17-5-4-15(11-18(17)21)19(25)24-9-6-14(7-10-24)12-22-13-16-3-1-2-8-23-16/h1-5,8,11,14,22H,6-7,9-10,12-13H2
InChIKeyPNMHCCSTZBRPCO-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone (CID 10691033) is (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2ccccn2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is PNMHCCSTZBRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-17-5-4-15(11-18(17)21)19(25)24-9-6-14(7-10-24)12-22-13-16-3-1-2-8-23-16/h1-5,8,11,14,22H,6-7,9-10,12-13H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 378.30 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[(pyridin-2-ylmethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10691033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).