1-Benzyl-4-piperidylamine

C12H18N2 — CID 415852

IUPAC1-benzylpiperidin-4-amine
SMILESC1CN(CCC1N)CC2=CC=CC=C2
InChIInChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKeyYUBDLZGUSSWQSS-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.40
Rot. Bonds2

About 1-Benzyl-4-piperidylamine

1-Benzyl-4-piperidylamine (PubChem CID 415852) has the molecular formula C12H18N2 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-benzylpiperidin-4-amine.

Molecular Properties

Compound Name1-Benzyl-4-piperidylamine
PubChem CID415852
Molecular FormulaC12H18N2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Name1-benzylpiperidin-4-amine
SMILESC1CN(CCC1N)CC2=CC=CC=C2
InChIInChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChIKeyYUBDLZGUSSWQSS-UHFFFAOYSA-N
XLogP1.40
TPSA29.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzylphenethylamine
CID 65055
1-Benzylpiperazine
CID 75994
N-ethyl-1-phenylcyclohexanamine
CID 16622
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
Dibenzylamine
CID 7656
Benzathine
CID 8793
1,4-Dibenzylpiperazine
CID 200601
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908

Frequently Asked Questions

What is the IUPAC name of 1-Benzyl-4-piperidylamine?
The IUPAC name of 1-Benzyl-4-piperidylamine (CID 415852) is 1-benzylpiperidin-4-amine.
What is the SMILES notation for 1-Benzyl-4-piperidylamine?
The canonical SMILES for 1-Benzyl-4-piperidylamine is C1CN(CCC1N)CC2=CC=CC=C2.
What is the InChIKey of 1-Benzyl-4-piperidylamine?
The InChIKey is YUBDLZGUSSWQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2.
What are the key properties of 1-Benzyl-4-piperidylamine?
1-Benzyl-4-piperidylamine has a molecular weight of 190.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Benzyl-4-piperidylamine is sourced from PubChem (CID 415852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).