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

C16H24N2 — CID 116988194

IUPAC3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
SMILESCN1CCCC(c2ccc(C3CC(N)C3)cc2)C1
InChIInChI=1S/C16H24N2/c1-18-8-2-3-14(11-18)12-4-6-13(7-5-12)15-9-16(17)10-15/h4-7,14-16H,2-3,8-11,17H2,1H3
InChIKeyGLUGFDWFKVGRNE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.70
Rot. Bonds2

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

3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine (PubChem CID 116988194) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
PubChem CID116988194
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
SMILESCN1CCCC(c2ccc(C3CC(N)C3)cc2)C1
InChIInChI=1S/C16H24N2/c1-18-8-2-3-14(11-18)12-4-6-13(7-5-12)15-9-16(17)10-15/h4-7,14-16H,2-3,8-11,17H2,1H3
InChIKeyGLUGFDWFKVGRNE-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
[4-(1-methylpiperidin-3-yl)phenyl]methanol
CID 58393220
2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988205
4-[(3R)-1-methylpiperidin-3-yl]benzene-1,2-diol
CID 92966347
N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine
CID 116988181
1-methyl-3-(4-prop-1-en-2-ylphenyl)azepane
CID 66742003
1-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutane-1-carbonitrile
CID 116988230
1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
CID 61210851
3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine
CID 127038227
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031
5-(1-methylpiperidin-3-yl)pyridin-3-amine
CID 115018770

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine (CID 116988194) is 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine is CN1CCCC(c2ccc(C3CC(N)C3)cc2)C1.
What is the InChIKey of 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine?
The InChIKey is GLUGFDWFKVGRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-8-2-3-14(11-18)12-4-6-13(7-5-12)15-9-16(17)10-15/h4-7,14-16H,2-3,8-11,17H2,1H3.
What are the key properties of 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine?
3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 116988194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).