3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine

C16H24N2 — CID 117363445

IUPAC3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
SMILESCN1CC(c2ccccc2CC2CCCNC2)C1
InChIInChI=1S/C16H24N2/c1-18-11-15(12-18)16-7-3-2-6-14(16)9-13-5-4-8-17-10-13/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyRWFUBTFTNIKMJQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.26
Rot. Bonds3

About 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine

3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine (PubChem CID 117363445) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
PubChem CID117363445
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
SMILESCN1CC(c2ccccc2CC2CCCNC2)C1
InChIInChI=1S/C16H24N2/c1-18-11-15(12-18)16-7-3-2-6-14(16)9-13-5-4-8-17-10-13/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyRWFUBTFTNIKMJQ-UHFFFAOYSA-N
XLogP2.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(2-prop-1-en-2-ylphenyl)methyl]piperidine
CID 66809492
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one
CID 117436462
1-methyl-4-[[2-[(2R)-pyrrolidin-2-yl]phenyl]methyl]piperidine
CID 150704826
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine?
The IUPAC name of 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine (CID 117363445) is 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine is CN1CC(c2ccccc2CC2CCCNC2)C1.
What is the InChIKey of 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine?
The InChIKey is RWFUBTFTNIKMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-18-11-15(12-18)16-7-3-2-6-14(16)9-13-5-4-8-17-10-13/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3.
What are the key properties of 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine?
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117363445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).