1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine

C24H32N2 — CID 138749088

IUPAC1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine
SMILESC=CC(C)(C)c1ccccc1C1(NC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N2/c1-5-23(2,3)21-13-9-10-14-22(21)24(25-4)15-17-26(18-16-24)19-20-11-7-6-8-12-20/h5-14,25H,1,15-19H2,2-4H3
InChIKeyJBVXHXSTVHOWAC-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.86
Rot. Bonds6

About 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine

1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine (PubChem CID 138749088) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine
PubChem CID138749088
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine
SMILESC=CC(C)(C)c1ccccc1C1(NC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32N2/c1-5-23(2,3)21-13-9-10-14-22(21)24(25-4)15-17-26(18-16-24)19-20-11-7-6-8-12-20/h5-14,25H,1,15-19H2,2-4H3
InChIKeyJBVXHXSTVHOWAC-UHFFFAOYSA-N
XLogP4.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine (CID 138749088) is 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine is C=CC(C)(C)c1ccccc1C1(NC)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine?
The InChIKey is JBVXHXSTVHOWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-5-23(2,3)21-13-9-10-14-22(21)24(25-4)15-17-26(18-16-24)19-20-11-7-6-8-12-20/h5-14,25H,1,15-19H2,2-4H3.
What are the key properties of 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine?
1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine has a molecular weight of 348.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 138749088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).