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

C16H26N2 — CID 116988906

IUPAC2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
SMILESCCC(CN)c1cccc(C2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-3-13(12-17)15-5-4-6-16(11-15)14-7-9-18(2)10-8-14/h4-6,11,13-14H,3,7-10,12,17H2,1-2H3
InChIKeyKOEYPRJAMYFCBE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds4

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

2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine (PubChem CID 116988906) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
PubChem CID116988906
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
SMILESCCC(CN)c1cccc(C2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2/c1-3-13(12-17)15-5-4-6-16(11-15)14-7-9-18(2)10-8-14/h4-6,11,13-14H,3,7-10,12,17H2,1-2H3
InChIKeyKOEYPRJAMYFCBE-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932
2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine
CID 116988406
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
CID 117374139
3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
CID 116988907
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
4-amino-3-(3-cyclopropylphenyl)butanoic acid
CID 79978164
2-methyl-3-[3-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 116988517
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol
CID 83833468
2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 79984630
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
ethyl 3-(1-methylpiperidin-4-yl)benzoate
CID 116988913

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine?
The IUPAC name of 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine (CID 116988906) is 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine.
What is the SMILES notation for 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine?
The canonical SMILES for 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine is CCC(CN)c1cccc(C2CCN(C)CC2)c1.
What is the InChIKey of 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine?
The InChIKey is KOEYPRJAMYFCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13(12-17)15-5-4-6-16(11-15)14-7-9-18(2)10-8-14/h4-6,11,13-14H,3,7-10,12,17H2,1-2H3.
What are the key properties of 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine?
2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine is sourced from PubChem (CID 116988906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).