1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine

C18H28N2O — CID 146135929

IUPAC1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine
SMILESCN1CCCCC1CCN1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-19-12-6-5-7-16(19)10-13-20-14-11-18(15-20)21-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/t16?,18-/m1/s1
InChIKeyYYDJKCLQJGFDJT-UHUGOGIASA-N
MW288.43 g/mol
LogP3.01
Rot. Bonds5

About 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine

1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine (PubChem CID 146135929) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine
PubChem CID146135929
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine
SMILESCN1CCCCC1CCN1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C18H28N2O/c1-19-12-6-5-7-16(19)10-13-20-14-11-18(15-20)21-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/t16?,18-/m1/s1
InChIKeyYYDJKCLQJGFDJT-UHUGOGIASA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine?
The IUPAC name of 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine (CID 146135929) is 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine?
The canonical SMILES for 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine is CN1CCCCC1CCN1CC[C@@H](Oc2ccccc2)C1.
What is the InChIKey of 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine?
The InChIKey is YYDJKCLQJGFDJT-UHUGOGIASA-N. The full InChI is InChI=1S/C18H28N2O/c1-19-12-6-5-7-16(19)10-13-20-14-11-18(15-20)21-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/t16?,18-/m1/s1.
What are the key properties of 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine?
1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine has a molecular weight of 288.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine is sourced from PubChem (CID 146135929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).