N-benzyl-1-(4-methylphenyl)piperidin-3-amine

C19H24N2 — CID 83993791

IUPACN-benzyl-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3ccccc3)C2)cc1
InChIInChI=1S/C19H24N2/c1-16-9-11-19(12-10-16)21-13-5-8-18(15-21)20-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3
InChIKeyCVMYJXYHNKEIPP-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.75
Rot. Bonds4

About N-benzyl-1-(4-methylphenyl)piperidin-3-amine

N-benzyl-1-(4-methylphenyl)piperidin-3-amine (PubChem CID 83993791) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-benzyl-1-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-(4-methylphenyl)piperidin-3-amine
PubChem CID83993791
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-benzyl-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3ccccc3)C2)cc1
InChIInChI=1S/C19H24N2/c1-16-9-11-19(12-10-16)21-13-5-8-18(15-21)20-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3
InChIKeyCVMYJXYHNKEIPP-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
N-benzyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993766
1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine
CID 83993803
N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83993100
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993793
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
(1S,5R)-N-[1-(4-methylphenyl)piperidin-3-yl]-3-azabicyclo[3.2.0]heptane-3-sulfonamide
CID 166271940
N-benzyl-1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-amine
CID 67066703
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of N-benzyl-1-(4-methylphenyl)piperidin-3-amine (CID 83993791) is N-benzyl-1-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N-benzyl-1-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for N-benzyl-1-(4-methylphenyl)piperidin-3-amine is Cc1ccc(N2CCCC(NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-1-(4-methylphenyl)piperidin-3-amine?
The InChIKey is CVMYJXYHNKEIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-9-11-19(12-10-16)21-13-5-8-18(15-21)20-14-17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3.
What are the key properties of N-benzyl-1-(4-methylphenyl)piperidin-3-amine?
N-benzyl-1-(4-methylphenyl)piperidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 83993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).