[1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine

C16H24N2 — CID 116988327

IUPAC[1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(C3CCCNC3)cc2)CCC1
InChIInChI=1S/C16H24N2/c17-12-16(8-2-9-16)15-6-4-13(5-7-15)14-3-1-10-18-11-14/h4-7,14,18H,1-3,8-12,17H2
InChIKeyFBUTYWFWGQVIPT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.53
Rot. Bonds3

About [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine

[1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine (PubChem CID 116988327) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine
PubChem CID116988327
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(C3CCCNC3)cc2)CCC1
InChIInChI=1S/C16H24N2/c17-12-16(8-2-9-16)15-6-4-13(5-7-15)14-3-1-10-18-11-14/h4-7,14,18H,1-3,8-12,17H2
InChIKeyFBUTYWFWGQVIPT-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330
[1-(3-pyrrolidin-3-ylphenyl)cyclobutyl]methanamine
CID 84793975
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322
[1-[4-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117360901
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
3-(4-tert-butylphenyl)piperidine
CID 24904200
3-(4-methoxyphenyl)piperidine
CID 12937920
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383

Frequently Asked Questions

What is the IUPAC name of [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine (CID 116988327) is [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine is NCC1(c2ccc(C3CCCNC3)cc2)CCC1.
What is the InChIKey of [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine?
The InChIKey is FBUTYWFWGQVIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-12-16(8-2-9-16)15-6-4-13(5-7-15)14-3-1-10-18-11-14/h4-7,14,18H,1-3,8-12,17H2.
What are the key properties of [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine?
[1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-piperidin-3-ylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 116988327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).