N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine

C16H24N2 — CID 173207768

IUPACN-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
SMILESc1cc(CNC2CCC2)cc(N2CCCCC2)c1
InChIInChI=1S/C16H24N2/c1-2-10-18(11-3-1)16-9-4-6-14(12-16)13-17-15-7-5-8-15/h4,6,9,12,15,17H,1-3,5,7-8,10-11,13H2
InChIKeyMXXABSFGIUAFLT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.32
Rot. Bonds4

About N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine

N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine (PubChem CID 173207768) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
PubChem CID173207768
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
SMILESc1cc(CNC2CCC2)cc(N2CCCCC2)c1
InChIInChI=1S/C16H24N2/c1-2-10-18(11-3-1)16-9-4-6-14(12-16)13-17-15-7-5-8-15/h4,6,9,12,15,17H,1-3,5,7-8,10-11,13H2
InChIKeyMXXABSFGIUAFLT-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 169075715
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913534
N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913509
3-[(cyclobutylamino)methyl]phenol
CID 62416890
(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
benzene;N-benzylcyclohexanamine
CID 142622843
[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol
CID 131889725
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
CID 75408371
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729

Frequently Asked Questions

What is the IUPAC name of N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine (CID 173207768) is N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine is c1cc(CNC2CCC2)cc(N2CCCCC2)c1.
What is the InChIKey of N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine?
The InChIKey is MXXABSFGIUAFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-10-18(11-3-1)16-9-4-6-14(12-16)13-17-15-7-5-8-15/h4,6,9,12,15,17H,1-3,5,7-8,10-11,13H2.
What are the key properties of N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine?
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine has a molecular weight of 244.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 173207768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).