1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine

C22H30N2 — CID 122176958

IUPAC1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C)c(C(C)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N2/c1-17-9-10-18(2)22(15-17)19(3)23-21-11-13-24(14-12-21)16-20-7-5-4-6-8-20/h4-10,15,19,21,23H,11-14,16H2,1-3H3
InChIKeyDCVRUDMOESYUPJ-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.62
Rot. Bonds5

About 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine

1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine (PubChem CID 122176958) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
PubChem CID122176958
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C)c(C(C)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H30N2/c1-17-9-10-18(2)22(15-17)19(3)23-21-11-13-24(14-12-21)16-20-7-5-4-6-8-20/h4-10,15,19,21,23H,11-14,16H2,1-3H3
InChIKeyDCVRUDMOESYUPJ-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
CID 99132118
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
2-[(1-benzylpiperidin-4-yl)amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 4795826
1-benzyl-4-(2,5-dimethylphenyl)piperidine
CID 130137270
2-[(1-benzylpiperidin-4-yl)amino]propan-1-ol
CID 43499736
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459229
1-benzyl-N-[1-(1-methylcyclopropyl)ethyl]piperidin-4-amine
CID 43363145
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43732518
1-benzyl-N-[(2S)-hexan-2-yl]piperidin-4-amine
CID 8024741
1-benzyl-N-heptan-2-ylpiperidin-4-amine
CID 43081917
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine (CID 122176958) is 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine is Cc1ccc(C)c(C(C)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
The InChIKey is DCVRUDMOESYUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-17-9-10-18(2)22(15-17)19(3)23-21-11-13-24(14-12-21)16-20-7-5-4-6-8-20/h4-10,15,19,21,23H,11-14,16H2,1-3H3.
What are the key properties of 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine?
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine has a molecular weight of 322.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 122176958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).