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

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
CID 91843602
2-[2-(4-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 54248259
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 114015284
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
CID 131920287
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-yl]methanamine
CID 55176250

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).