2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine

C17H28N2 — CID 116988801

IUPAC2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
SMILESCN1CCCC(c2cccc(CCC(C)(C)N)c2)C1
InChIInChI=1S/C17H28N2/c1-17(2,18)10-9-14-6-4-7-15(12-14)16-8-5-11-19(3)13-16/h4,6-7,12,16H,5,8-11,13,18H2,1-3H3
InChIKeyWISOHVJQDCUVFP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.17
Rot. Bonds4

About 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine

2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine (PubChem CID 116988801) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
PubChem CID116988801
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine
SMILESCN1CCCC(c2cccc(CCC(C)(C)N)c2)C1
InChIInChI=1S/C17H28N2/c1-17(2,18)10-9-14-6-4-7-15(12-14)16-8-5-11-19(3)13-16/h4,6-7,12,16H,5,8-11,13,18H2,1-3H3
InChIKeyWISOHVJQDCUVFP-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-[3-(1-methylpyrrolidin-3-yl)phenyl]ethyl]hydroxylamine
CID 117314821
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
CID 116988811
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
3-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 22856989
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
2-methyl-4-[4-(1-methylpiperidin-3-yl)pyrimidin-2-yl]butan-2-amine
CID 116898479
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
2-(3-cyclobutylphenyl)ethanamine
CID 83827556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine?
The IUPAC name of 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine (CID 116988801) is 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine is CN1CCCC(c2cccc(CCC(C)(C)N)c2)C1.
What is the InChIKey of 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine?
The InChIKey is WISOHVJQDCUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,18)10-9-14-6-4-7-15(12-14)16-8-5-11-19(3)13-16/h4,6-7,12,16H,5,8-11,13,18H2,1-3H3.
What are the key properties of 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine?
2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(1-methylpiperidin-3-yl)phenyl]butan-2-amine is sourced from PubChem (CID 116988801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).