N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine

C22H32N4 — CID 45170653

IUPACN-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine
SMILESCCCc1ncc(CN(C)C2CCCN(CCc3ccccc3)C2)cn1
InChIInChI=1S/C22H32N4/c1-3-8-22-23-15-20(16-24-22)17-25(2)21-11-7-13-26(18-21)14-12-19-9-5-4-6-10-19/h4-6,9-10,15-16,21H,3,7-8,11-14,17-18H2,1-2H3
InChIKeyJQEORYDMNVIEMT-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.57
Rot. Bonds8

About N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine

N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine (PubChem CID 45170653) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine
PubChem CID45170653
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC NameN-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine
SMILESCCCc1ncc(CN(C)C2CCCN(CCc3ccccc3)C2)cn1
InChIInChI=1S/C22H32N4/c1-3-8-22-23-15-20(16-24-22)17-25(2)21-11-7-13-26(18-21)14-12-19-9-5-4-6-10-19/h4-6,9-10,15-16,21H,3,7-8,11-14,17-18H2,1-2H3
InChIKeyJQEORYDMNVIEMT-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine (CID 45170653) is N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine is CCCc1ncc(CN(C)C2CCCN(CCc3ccccc3)C2)cn1.
What is the InChIKey of N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine?
The InChIKey is JQEORYDMNVIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-3-8-22-23-15-20(16-24-22)17-25(2)21-11-7-13-26(18-21)14-12-19-9-5-4-6-10-19/h4-6,9-10,15-16,21H,3,7-8,11-14,17-18H2,1-2H3.
What are the key properties of N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine?
N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine has a molecular weight of 352.53 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylethyl)-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 45170653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).