4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine

C16H26N2O — CID 112501196

IUPAC4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
SMILESCOc1cccc(C(CCCN)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-19-15-8-5-7-14(13-15)16(9-6-10-17)18-11-3-2-4-12-18/h5,7-8,13,16H,2-4,6,9-12,17H2,1H3
InChIKeyWASKYJZKPMHHPY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds6

About 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine

4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine (PubChem CID 112501196) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
PubChem CID112501196
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
SMILESCOc1cccc(C(CCCN)N2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-19-15-8-5-7-14(13-15)16(9-6-10-17)18-11-3-2-4-12-18/h5,7-8,13,16H,2-4,6,9-12,17H2,1H3
InChIKeyWASKYJZKPMHHPY-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61212628
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
3-[3-(1-piperidin-1-ylethyl)phenoxy]propan-1-amine
CID 20567191
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111030442
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
4-(4-methoxyphenyl)-4-morpholin-4-ylbutan-1-amine
CID 112501198

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
The IUPAC name of 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine (CID 112501196) is 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine is COc1cccc(C(CCCN)N2CCCCC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
The InChIKey is WASKYJZKPMHHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-15-8-5-7-14(13-15)16(9-6-10-17)18-11-3-2-4-12-18/h5,7-8,13,16H,2-4,6,9-12,17H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine?
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 112501196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).