2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid

C16H22N2O2 — CID 106821074

IUPAC2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H22N2O2/c19-16(20)10-13-11-18(12-13)15-6-8-17(9-7-15)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,19,20)
InChIKeySQIJNEPILVFQLH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid

2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 106821074) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
PubChem CID106821074
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C16H22N2O2/c19-16(20)10-13-11-18(12-13)15-6-8-17(9-7-15)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,19,20)
InChIKeySQIJNEPILVFQLH-UHFFFAOYSA-N
XLogP2.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 104973734
2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
CID 82298626
2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 65069382
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
3-amino-1-(1-phenylpiperidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107321169
2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
1-[6-hydroxy-4-(1-phenylpiperidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 86284739
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid
CID 164560835

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid (CID 106821074) is 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is SQIJNEPILVFQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20)10-13-11-18(12-13)15-6-8-17(9-7-15)14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,19,20).
What are the key properties of 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 274.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 106821074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).