2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine

C17H28N2 — CID 79008084

IUPAC2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCCC(CN)(Cc1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-3-17(14-18,13-16-7-5-4-6-8-16)19-11-9-15(2)10-12-19/h4-8,15H,3,9-14,18H2,1-2H3
InChIKeyUZHBQQIHYJIJGH-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.07
Rot. Bonds5

About 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine

2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine (PubChem CID 79008084) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine
PubChem CID79008084
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCCC(CN)(Cc1ccccc1)N1CCC(C)CC1
InChIInChI=1S/C17H28N2/c1-3-17(14-18,13-16-7-5-4-6-8-16)19-11-9-15(2)10-12-19/h4-8,15H,3,9-14,18H2,1-2H3
InChIKeyUZHBQQIHYJIJGH-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-benzylbutan-1-amine
CID 115559301
2-benzyl-2-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114537612
2-benzyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-1-amine
CID 79008804
2-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 24693500
2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
CID 79007619
1-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)propan-2-amine
CID 84752594
4-methyl-2-(4-methylpiperidin-1-yl)-2-(2-methylpropyl)pentan-1-amine
CID 113220174
2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine
CID 55248237
2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 102964995
2-(3-methoxypyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 103531552
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
2-methyl-2-(2-methylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 114993616

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine (CID 79008084) is 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine is CCC(CN)(Cc1ccccc1)N1CCC(C)CC1.
What is the InChIKey of 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is UZHBQQIHYJIJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-17(14-18,13-16-7-5-4-6-8-16)19-11-9-15(2)10-12-19/h4-8,15H,3,9-14,18H2,1-2H3.
What are the key properties of 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 79008084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).