(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one

C14H19NO — CID 158144410

IUPAC(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(C2CNC2)cc1
InChIInChI=1S/C14H19NO/c1-10(7-11(2)16)12-3-5-13(6-4-12)14-8-15-9-14/h3-6,10,14-15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyLKNDVIYGIOKMTD-SNVBAGLBSA-N
MW217.31 g/mol
LogP2.46
Rot. Bonds4

About (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one

(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one (PubChem CID 158144410) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one
PubChem CID158144410
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one
SMILESCC(=O)C[C@@H](C)c1ccc(C2CNC2)cc1
InChIInChI=1S/C14H19NO/c1-10(7-11(2)16)12-3-5-13(6-4-12)14-8-15-9-14/h3-6,10,14-15H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyLKNDVIYGIOKMTD-SNVBAGLBSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one;(4R)-4-[4-[1-(2-chloropyrimidin-4-yl)azetidin-3-yl]phenyl]pentan-2-one
CID 158144409
(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one
CID 146884141
(4R)-4-(4-hydroxyphenyl)pentan-2-one
CID 157310522
(4R)-4-[4-[(4S)-4-(2-methoxyethoxy)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 159130576
N-[1-[4-(azetidin-3-yl)phenyl]ethyl]prop-1-en-2-amine
CID 145360708
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
4-(3,4-dihydroxyphenyl)pentan-2-one
CID 83907699
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
(4R)-4-[4-[1-(5-chloro-6-propoxypyrimidin-4-yl)azetidin-3-yl]phenyl]pentan-2-one
CID 161191498
ethyl [5-(4-propan-2-ylphenyl)piperidin-3-yl] carbonate
CID 67084172
(4R)-4-[4-(azetidin-3-yloxy)phenyl]pentan-2-one;(4R)-4-[4-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]oxyphenyl]pentan-2-one
CID 160796338
4-(azetidin-3-yl)-N-propan-2-ylaniline
CID 130058010

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one (CID 158144410) is (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one is CC(=O)C[C@@H](C)c1ccc(C2CNC2)cc1.
What is the InChIKey of (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one?
The InChIKey is LKNDVIYGIOKMTD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(7-11(2)16)12-3-5-13(6-4-12)14-8-15-9-14/h3-6,10,14-15H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one?
(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one is sourced from PubChem (CID 158144410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).