(3-piperidin-3-ylphenyl)methanamine

C12H18N2 — CID 82603658

IUPAC(3-piperidin-3-ylphenyl)methanamine
SMILESNCc1cccc(C2CCCNC2)c1
InChIInChI=1S/C12H18N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,8-9,13H2
InChIKeyVFQPUPSWNZYFHE-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.61
Rot. Bonds2

About (3-piperidin-3-ylphenyl)methanamine

(3-piperidin-3-ylphenyl)methanamine (PubChem CID 82603658) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3-piperidin-3-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-piperidin-3-ylphenyl)methanamine
PubChem CID82603658
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3-piperidin-3-ylphenyl)methanamine
SMILESNCc1cccc(C2CCCNC2)c1
InChIInChI=1S/C12H18N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,8-9,13H2
InChIKeyVFQPUPSWNZYFHE-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688
N-[(3-piperidin-3-ylphenyl)methyl]cyclopropanamine
CID 116988705
1-(3-piperidin-3-ylphenyl)propan-2-ol
CID 117116416
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-piperidin-3-ylbenzenethiol
CID 116988736
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040
[3-(4-ethylcycloheptyl)phenyl]methanamine
CID 123307972
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825

Frequently Asked Questions

What is the IUPAC name of (3-piperidin-3-ylphenyl)methanamine?
The IUPAC name of (3-piperidin-3-ylphenyl)methanamine (CID 82603658) is (3-piperidin-3-ylphenyl)methanamine.
What is the SMILES notation for (3-piperidin-3-ylphenyl)methanamine?
The canonical SMILES for (3-piperidin-3-ylphenyl)methanamine is NCc1cccc(C2CCCNC2)c1.
What is the InChIKey of (3-piperidin-3-ylphenyl)methanamine?
The InChIKey is VFQPUPSWNZYFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-8-10-3-1-4-11(7-10)12-5-2-6-14-9-12/h1,3-4,7,12,14H,2,5-6,8-9,13H2.
What are the key properties of (3-piperidin-3-ylphenyl)methanamine?
(3-piperidin-3-ylphenyl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperidin-3-ylphenyl)methanamine is sourced from PubChem (CID 82603658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).