N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine

C21H29ClN4 — CID 72915737

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1nc(C)cc(N2CCC(NCCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H29ClN4/c1-3-4-20-24-16(2)15-21(25-20)26-13-10-19(11-14-26)23-12-9-17-5-7-18(22)8-6-17/h5-8,15,19,23H,3-4,9-14H2,1-2H3
InChIKeyVFDCXKDMVZUPLN-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.19
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72915737) has the molecular formula C21H29ClN4 and a molecular weight of 372.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72915737
Molecular FormulaC21H29ClN4
Molecular Weight372.94 g/mol
Exact Mass372.21
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1nc(C)cc(N2CCC(NCCc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H29ClN4/c1-3-4-20-24-16(2)15-21(25-20)26-13-10-19(11-14-26)23-12-9-17-5-7-18(22)8-6-17/h5-8,15,19,23H,3-4,9-14H2,1-2H3
InChIKeyVFDCXKDMVZUPLN-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine (CID 72915737) is N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine is CCCc1nc(C)cc(N2CCC(NCCc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is VFDCXKDMVZUPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4/c1-3-4-20-24-16(2)15-21(25-20)26-13-10-19(11-14-26)23-12-9-17-5-7-18(22)8-6-17/h5-8,15,19,23H,3-4,9-14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 372.94 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72915737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).