3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine

C16H26N2 — CID 117368922

IUPAC3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-14(9-10-17)16-7-5-15(6-8-16)13-18-11-3-2-4-12-18/h5-8,14H,2-4,9-13,17H2,1H3
InChIKeyUBJWFUPICJGGBT-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds5

About 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine

3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine (PubChem CID 117368922) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
PubChem CID117368922
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
SMILESCC(CCN)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-14(9-10-17)16-7-5-15(6-8-16)13-18-11-3-2-4-12-18/h5-8,14H,2-4,9-13,17H2,1H3
InChIKeyUBJWFUPICJGGBT-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 105346444
3-[4-(pyrrolidin-1-ylmethyl)phenyl]butanal
CID 117334946
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105347823
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
4-[4-(pyrrolidin-1-ylmethyl)phenyl]butan-1-amine
CID 117337056
2-amino-3-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbutanamide
CID 91521407
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654

Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine?
The IUPAC name of 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine (CID 117368922) is 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine is CC(CCN)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine?
The InChIKey is UBJWFUPICJGGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(9-10-17)16-7-5-15(6-8-16)13-18-11-3-2-4-12-18/h5-8,14H,2-4,9-13,17H2,1H3.
What are the key properties of 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine?
3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine is sourced from PubChem (CID 117368922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).