1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine

C16H22ClNO — CID 91022821

IUPAC1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine
SMILESClc1ccc(N2CCCC2CC2CCOCC2)cc1
InChIInChI=1S/C16H22ClNO/c17-14-3-5-15(6-4-14)18-9-1-2-16(18)12-13-7-10-19-11-8-13/h3-6,13,16H,1-2,7-12H2
InChIKeyZLUUXYGTTJQRFS-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.13
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine

1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine (PubChem CID 91022821) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine
PubChem CID91022821
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine
SMILESClc1ccc(N2CCCC2CC2CCOCC2)cc1
InChIInChI=1S/C16H22ClNO/c17-14-3-5-15(6-4-14)18-9-1-2-16(18)12-13-7-10-19-11-8-13/h3-6,13,16H,1-2,7-12H2
InChIKeyZLUUXYGTTJQRFS-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethyl)pyrrolidine
CID 142600148
(2S,5R)-1,2-bis(4-chlorophenyl)-5-(2-methylpropoxymethyl)piperidine
CID 58957018
[(3R,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol
CID 58957027
[(3S,6S)-1,6-bis(4-chlorophenyl)piperidin-3-yl]methanol
CID 58957069
1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-(2-methylpropoxymethyl)piperidine
CID 71176216
2-[1-(4-Chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
1-(4-chlorophenyl)-3-(oxan-4-yl)-7H-cyclohepta[b]pyrrole
CID 123336149
2-(5-Chloro-2-propan-2-ylphenyl)-8-oxa-2-azaspiro[4.5]decane
CID 130187518
2-(3-Chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872
4-chloro-N-[1-(cyclohexylmethoxy)ethenyl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]aniline
CID 166763754
N-[2-[2-[1-(4-chlorophenyl)piperidin-4-yl]ethoxy]ethyl]-N-methylprop-2-en-1-amine
CID 174451917
4-[[1-(4-chlorophenyl)piperidin-4-yl]methoxy]-N-methyl-N-prop-2-enylbutan-1-amine
CID 174451919

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine?
The IUPAC name of 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine (CID 91022821) is 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine is Clc1ccc(N2CCCC2CC2CCOCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine?
The InChIKey is ZLUUXYGTTJQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-14-3-5-15(6-4-14)18-9-1-2-16(18)12-13-7-10-19-11-8-13/h3-6,13,16H,1-2,7-12H2.
What are the key properties of 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine?
1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine has a molecular weight of 279.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(oxan-4-ylmethyl)pyrrolidine is sourced from PubChem (CID 91022821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).