1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine

C20H31FN2O — CID 45198615

IUPAC1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)CC1CCOC1
InChIInChI=1S/C20H31FN2O/c1-22(15-18-9-13-24-16-18)14-17-6-10-23(11-7-17)12-8-19-4-2-3-5-20(19)21/h2-5,17-18H,6-16H2,1H3
InChIKeyUUCOAELCGNPNAI-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.05
Rot. Bonds7

About 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine

1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine (PubChem CID 45198615) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine
PubChem CID45198615
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC Name1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)CC1CCOC1
InChIInChI=1S/C20H31FN2O/c1-22(15-18-9-13-24-16-18)14-17-6-10-23(11-7-17)12-8-19-4-2-3-5-20(19)21/h2-5,17-18H,6-16H2,1H3
InChIKeyUUCOAELCGNPNAI-UHFFFAOYSA-N
XLogP3.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-(3-Phenylpropoxy)propyl)piperidine
CID 9903343
4-Propyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563683
4-Butyl-1-[3-(phenylpropoxy)propyl]piperidine
CID 44563684
1-((E)-But-2-enyl)-4-((E)-3-phenyl-allyloxymethyl)-piperidine
CID 44315536
[8-(2,4-Difluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922080
1-[2-(4-Fluorophenyl)ethyl]-4-piperidinemethanol
CID 22733849
4-[2-(4-Fluorophenyl)ethyl]morpholine
CID 100965302
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
4-(3-Fluoro-2-phenylbut-2-enyl)morpholine
CID 135044781
N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 16673136
N-[(2-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 16673142
2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine
CID 26314999

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine?
The IUPAC name of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine (CID 45198615) is 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine?
The canonical SMILES for 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine is CN(CC1CCN(CCc2ccccc2F)CC1)CC1CCOC1.
What is the InChIKey of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine?
The InChIKey is UUCOAELCGNPNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O/c1-22(15-18-9-13-24-16-18)14-17-6-10-23(11-7-17)12-8-19-4-2-3-5-20(19)21/h2-5,17-18H,6-16H2,1H3.
What are the key properties of 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine?
1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine has a molecular weight of 334.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(oxolan-3-ylmethyl)methanamine is sourced from PubChem (CID 45198615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).