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

C16H26N2O — CID 117411224

IUPAC4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine
SMILESCN1CCCC(Oc2ccccc2CCCCN)C1
InChIInChI=1S/C16H26N2O/c1-18-12-6-9-15(13-18)19-16-10-3-2-7-14(16)8-4-5-11-17/h2-3,7,10,15H,4-6,8-9,11-13,17H2,1H3
InChIKeyGAXMPULHPHHCLO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

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

4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine (PubChem CID 117411224) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine
PubChem CID117411224
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine
SMILESCN1CCCC(Oc2ccccc2CCCCN)C1
InChIInChI=1S/C16H26N2O/c1-18-12-6-9-15(13-18)19-16-10-3-2-7-14(16)8-4-5-11-17/h2-3,7,10,15H,4-6,8-9,11-13,17H2,1H3
InChIKeyGAXMPULHPHHCLO-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 117095351
2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
CID 117411189
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
CID 57497626
[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 115004761
3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866480
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
3-[4-(1-methylazepan-4-yl)oxyphenyl]propan-1-amine
CID 117095267
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
CID 15624038
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine?
The IUPAC name of 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine (CID 117411224) is 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine.
What is the SMILES notation for 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine?
The canonical SMILES for 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine is CN1CCCC(Oc2ccccc2CCCCN)C1.
What is the InChIKey of 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine?
The InChIKey is GAXMPULHPHHCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18-12-6-9-15(13-18)19-16-10-3-2-7-14(16)8-4-5-11-17/h2-3,7,10,15H,4-6,8-9,11-13,17H2,1H3.
What are the key properties of 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine?
4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine is sourced from PubChem (CID 117411224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).