1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine

C15H24N2 — CID 82289895

IUPAC1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
SMILESCc1ccc(CC(N)CN2CCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)11-15(16)12-17-9-3-2-4-10-17/h5-8,15H,2-4,9-12,16H2,1H3
InChIKeyAOPPXITWSDIWFA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine

1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine (PubChem CID 82289895) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
PubChem CID82289895
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
SMILESCc1ccc(CC(N)CN2CCCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)11-15(16)12-17-9-3-2-4-10-17/h5-8,15H,2-4,9-12,16H2,1H3
InChIKeyAOPPXITWSDIWFA-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;1-(azepan-1-yl)-3-(3-chlorophenyl)propan-2-amine;1-(azepan-1-yl)-3-(4-methylphenyl)propan-2-amine
CID 90941729
4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
CID 129196836
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289885
1-[(4-methylphenyl)methyl]azepane
CID 3951815
(2S)-1-[4-(4-fluorobutoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-amine
CID 70228716
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
CID 82307455
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine (CID 82289895) is 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine is Cc1ccc(CC(N)CN2CCCCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
The InChIKey is AOPPXITWSDIWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)11-15(16)12-17-9-3-2-4-10-17/h5-8,15H,2-4,9-12,16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine?
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 82289895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).