N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine

C16H19ClN4O — CID 139003976

IUPACN-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
SMILESCOc1cc(N2CCC(Nc3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C16H19ClN4O/c1-22-16-10-15(18-11-19-16)21-8-6-12(7-9-21)20-14-5-3-2-4-13(14)17/h2-5,10-12,20H,6-9H2,1H3
InChIKeyMQQYOKSVXDFFOG-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.22
Rot. Bonds4

About N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine

N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine (PubChem CID 139003976) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
PubChem CID139003976
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine
SMILESCOc1cc(N2CCC(Nc3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C16H19ClN4O/c1-22-16-10-15(18-11-19-16)21-8-6-12(7-9-21)20-14-5-3-2-4-13(14)17/h2-5,10-12,20H,6-9H2,1H3
InChIKeyMQQYOKSVXDFFOG-UHFFFAOYSA-N
XLogP3.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839
N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171336312
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine (CID 139003976) is N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine is COc1cc(N2CCC(Nc3ccccc3Cl)CC2)ncn1.
What is the InChIKey of N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine?
The InChIKey is MQQYOKSVXDFFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-22-16-10-15(18-11-19-16)21-8-6-12(7-9-21)20-14-5-3-2-4-13(14)17/h2-5,10-12,20H,6-9H2,1H3.
What are the key properties of N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine?
N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine has a molecular weight of 318.81 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(6-methoxypyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 139003976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).