3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine

C15H24N2 — CID 117337018

IUPAC3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
SMILESCN1CCC(c2cccc(CCCN)c2)CC1
InChIInChI=1S/C15H24N2/c1-17-10-7-14(8-11-17)15-6-2-4-13(12-15)5-3-9-16/h2,4,6,12,14H,3,5,7-11,16H2,1H3
InChIKeyAQOYJMYOMVWZNO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.39
Rot. Bonds4

About 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine

3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine (PubChem CID 117337018) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
PubChem CID117337018
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
SMILESCN1CCC(c2cccc(CCCN)c2)CC1
InChIInChI=1S/C15H24N2/c1-17-10-7-14(8-11-17)15-6-2-4-13(12-15)5-3-9-16/h2,4,6,12,14H,3,5,7-11,16H2,1H3
InChIKeyAQOYJMYOMVWZNO-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329
ethane;N-methyl-1-[3-(1-methylpiperidin-4-yl)phenyl]methanamine
CID 144545946
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
CID 116988906
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine (CID 117337018) is 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine is CN1CCC(c2cccc(CCCN)c2)CC1.
What is the InChIKey of 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine?
The InChIKey is AQOYJMYOMVWZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17-10-7-14(8-11-17)15-6-2-4-13(12-15)5-3-9-16/h2,4,6,12,14H,3,5,7-11,16H2,1H3.
What are the key properties of 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine?
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 117337018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).