(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine

C21H26ClNO — CID 124526306

IUPAC(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine
SMILESCCCCN1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H26ClNO/c1-2-3-14-23-15-13-20(16-23)24-21(17-7-5-4-6-8-17)18-9-11-19(22)12-10-18/h4-12,20-21H,2-3,13-16H2,1H3/t20-,21-/m1/s1
InChIKeyLDCAVJYDEQRFHB-NHCUHLMSSA-N
MW343.90 g/mol
LogP5.32
Rot. Bonds7

About (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine

(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine (PubChem CID 124526306) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine.

Molecular Properties

Compound Name(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine
PubChem CID124526306
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine
SMILESCCCCN1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H26ClNO/c1-2-3-14-23-15-13-20(16-23)24-21(17-7-5-4-6-8-17)18-9-11-19(22)12-10-18/h4-12,20-21H,2-3,13-16H2,1H3/t20-,21-/m1/s1
InChIKeyLDCAVJYDEQRFHB-NHCUHLMSSA-N
XLogP5.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
CID 3025364
2-[3-[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propylamino]-4-methylphenol
CID 10253913
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
6-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]hexanoic acid;hydrochloride
CID 67903314
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine
CID 131846441
ethyl 4-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoate
CID 54498618
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
propyl 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89474376
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780

Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
The IUPAC name of (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine (CID 124526306) is (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine.
What is the SMILES notation for (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
The canonical SMILES for (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine is CCCCN1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
The InChIKey is LDCAVJYDEQRFHB-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-2-3-14-23-15-13-20(16-23)24-21(17-7-5-4-6-8-17)18-9-11-19(22)12-10-18/h4-12,20-21H,2-3,13-16H2,1H3/t20-,21-/m1/s1.
What are the key properties of (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine?
(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine has a molecular weight of 343.90 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine is sourced from PubChem (CID 124526306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).