N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline

C19H24N2 — CID 39380681

IUPACN-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
SMILESCc1cccc(CNc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C19H24N2/c1-16-6-5-7-17(14-16)15-20-18-8-10-19(11-9-18)21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13,15H2,1H3
InChIKeyYJBBCXOBXNRZNY-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.60
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline

N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline (PubChem CID 39380681) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
PubChem CID39380681
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
SMILESCc1cccc(CNc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C19H24N2/c1-16-6-5-7-17(14-16)15-20-18-8-10-19(11-9-18)21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13,15H2,1H3
InChIKeyYJBBCXOBXNRZNY-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
3-N-[(3-methylphenyl)methyl]-5-N-(4-piperidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112948496
N-[(3-methylphenyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689504
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
6-methyl-4-N-[(3-methylphenyl)methyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112916171
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
1-[2-(3-methylphenyl)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108900783
4-[(4-pyrrolidin-1-ylanilino)methyl]benzene-1,2-diol
CID 43732176
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
3-bromo-5-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 107582113

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline (CID 39380681) is N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline is Cc1cccc(CNc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline?
The InChIKey is YJBBCXOBXNRZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-6-5-7-17(14-16)15-20-18-8-10-19(11-9-18)21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13,15H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline?
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline has a molecular weight of 280.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 39380681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).