1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine

C15H17ClN4 — CID 103278648

IUPAC1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)14-5-8-18-15(19-14)20-9-6-13(17)7-10-20/h1-5,8,13H,6-7,9-10,17H2
InChIKeyMCHDRMQPCLGKAW-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.72
Rot. Bonds2

About 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine

1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 103278648) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID103278648
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)14-5-8-18-15(19-14)20-9-6-13(17)7-10-20/h1-5,8,13H,6-7,9-10,17H2
InChIKeyMCHDRMQPCLGKAW-UHFFFAOYSA-N
XLogP2.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine (CID 103278648) is 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine is NC1CCN(c2nccc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is MCHDRMQPCLGKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-12-3-1-11(2-4-12)14-5-8-18-15(19-14)20-9-6-13(17)7-10-20/h1-5,8,13H,6-7,9-10,17H2.
What are the key properties of 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 288.78 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 103278648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).