2-[(3-phenylazetidin-1-yl)methyl]piperidine

C15H22N2 — CID 79677520

IUPAC2-[(3-phenylazetidin-1-yl)methyl]piperidine
SMILESc1ccc(C2CN(CC3CCCCN3)C2)cc1
InChIInChI=1S/C15H22N2/c1-2-6-13(7-3-1)14-10-17(11-14)12-15-8-4-5-9-16-15/h1-3,6-7,14-16H,4-5,8-12H2
InChIKeyFHBPPYMYHFAPHT-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.23
Rot. Bonds3

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

2-[(3-phenylazetidin-1-yl)methyl]piperidine (PubChem CID 79677520) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[(3-phenylazetidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-phenylazetidin-1-yl)methyl]piperidine
PubChem CID79677520
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-[(3-phenylazetidin-1-yl)methyl]piperidine
SMILESc1ccc(C2CN(CC3CCCCN3)C2)cc1
InChIInChI=1S/C15H22N2/c1-2-6-13(7-3-1)14-10-17(11-14)12-15-8-4-5-9-16-15/h1-3,6-7,14-16H,4-5,8-12H2
InChIKeyFHBPPYMYHFAPHT-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 130522631
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
3-(azocan-2-ylmethyl)-3-azabicyclo[3.3.1]nonane
CID 114240424
4-(azepan-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 64568587
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
2-(pyrrol-1-ylmethyl)piperidine
CID 54001676
(3aS,6aR)-2-[[(2S)-pyrrolidin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142354137
(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine
CID 67175624
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)azepane
CID 114410507
(2S)-2-phenylpiperidine
CID 10997356
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylazetidin-1-yl)methyl]piperidine?
The IUPAC name of 2-[(3-phenylazetidin-1-yl)methyl]piperidine (CID 79677520) is 2-[(3-phenylazetidin-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3-phenylazetidin-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(3-phenylazetidin-1-yl)methyl]piperidine is c1ccc(C2CN(CC3CCCCN3)C2)cc1.
What is the InChIKey of 2-[(3-phenylazetidin-1-yl)methyl]piperidine?
The InChIKey is FHBPPYMYHFAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-6-13(7-3-1)14-10-17(11-14)12-15-8-4-5-9-16-15/h1-3,6-7,14-16H,4-5,8-12H2.
What are the key properties of 2-[(3-phenylazetidin-1-yl)methyl]piperidine?
2-[(3-phenylazetidin-1-yl)methyl]piperidine has a molecular weight of 230.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylazetidin-1-yl)methyl]piperidine is sourced from PubChem (CID 79677520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).