2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine

C16H26N2 — CID 61099951

IUPAC2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCC1CCCN(C(CN)C(C)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13-7-6-10-18(12-13)16(11-17)14(2)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12,17H2,1-2H3
InChIKeySEUIOJXHCZBXNM-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.85
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine

2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine (PubChem CID 61099951) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
PubChem CID61099951
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCC1CCCN(C(CN)C(C)c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-13-7-6-10-18(12-13)16(11-17)14(2)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12,17H2,1-2H3
InChIKeySEUIOJXHCZBXNM-UHFFFAOYSA-N
XLogP2.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 61222019
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
CID 104958196
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 62937911
2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
CID 61218423
2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
CID 61262194
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine (CID 61099951) is 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine is CC1CCCN(C(CN)C(C)c2ccccc2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine?
The InChIKey is SEUIOJXHCZBXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-6-10-18(12-13)16(11-17)14(2)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12,17H2,1-2H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine?
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine is sourced from PubChem (CID 61099951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).