[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine

C17H28N2 — CID 114960002

IUPAC[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
SMILESCCC(c1ccc(C)cc1)N1CCC(C)C(CN)C1
InChIInChI=1S/C17H28N2/c1-4-17(15-7-5-13(2)6-8-15)19-10-9-14(3)16(11-18)12-19/h5-8,14,16-17H,4,9-12,18H2,1-3H3
InChIKeyOIJYTCLBUOVJST-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.36
Rot. Bonds4

About [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine

[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine (PubChem CID 114960002) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
PubChem CID114960002
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
SMILESCCC(c1ccc(C)cc1)N1CCC(C)C(CN)C1
InChIInChI=1S/C17H28N2/c1-4-17(15-7-5-13(2)6-8-15)19-10-9-14(3)16(11-18)12-19/h5-8,14,16-17H,4,9-12,18H2,1-3H3
InChIKeyOIJYTCLBUOVJST-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
CID 114960156
[4-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-yl]methanamine
CID 114959769
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
CID 79175124

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine (CID 114960002) is [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine is CCC(c1ccc(C)cc1)N1CCC(C)C(CN)C1.
What is the InChIKey of [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
The InChIKey is OIJYTCLBUOVJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(15-7-5-13(2)6-8-15)19-10-9-14(3)16(11-18)12-19/h5-8,14,16-17H,4,9-12,18H2,1-3H3.
What are the key properties of [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine?
[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 114960002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).