(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine

C19H28N2O — CID 95707927

IUPAC(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
SMILESCOc1ccccc1/C=C/CN1CC(N2CCCC[C@H]2C)C1
InChIInChI=1S/C19H28N2O/c1-16-8-5-6-13-21(16)18-14-20(15-18)12-7-10-17-9-3-4-11-19(17)22-2/h3-4,7,9-11,16,18H,5-6,8,12-15H2,1-2H3/b10-7+/t16-/m1/s1
InChIKeyCPPZMAHGBWDCRC-OJXHRBAXSA-N
MW300.45 g/mol
LogP3.27
Rot. Bonds5

About (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine

(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine (PubChem CID 95707927) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
PubChem CID95707927
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
SMILESCOc1ccccc1/C=C/CN1CC(N2CCCC[C@H]2C)C1
InChIInChI=1S/C19H28N2O/c1-16-8-5-6-13-21(16)18-14-20(15-18)12-7-10-17-9-3-4-11-19(17)22-2/h3-4,7,9-11,16,18H,5-6,8,12-15H2,1-2H3/b10-7+/t16-/m1/s1
InChIKeyCPPZMAHGBWDCRC-OJXHRBAXSA-N
XLogP3.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,8aR)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603759
(3S,4S)-3-(hydroxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-ol
CID 157011117
(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
CID 30981483
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(3aR,5R,6R,7aS)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172672073
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
CID 6293793
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781433
(9aR)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95140890
(3S,4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045430
(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124824404
4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methylpiperazine-2-carboxylic acid
CID 56704200
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine?
The IUPAC name of (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine (CID 95707927) is (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine.
What is the SMILES notation for (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine?
The canonical SMILES for (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine is COc1ccccc1/C=C/CN1CC(N2CCCC[C@H]2C)C1.
What is the InChIKey of (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine?
The InChIKey is CPPZMAHGBWDCRC-OJXHRBAXSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16-8-5-6-13-21(16)18-14-20(15-18)12-7-10-17-9-3-4-11-19(17)22-2/h3-4,7,9-11,16,18H,5-6,8,12-15H2,1-2H3/b10-7+/t16-/m1/s1.
What are the key properties of (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine?
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine has a molecular weight of 300.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine is sourced from PubChem (CID 95707927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).