1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol

C19H29FN2O2 — CID 110929763

IUPAC1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCCC1CN1CCCCC1
InChIInChI=1S/C19H29FN2O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-22-12-4-5-17(22)13-21-10-2-1-3-11-21/h6-9,17-18,23H,1-5,10-15H2
InChIKeyWKWGVJLLCSRDEV-UHFFFAOYSA-N
MW336.45 g/mol
LogP2.52
Rot. Bonds7

About 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol

1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 110929763) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID110929763
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
SMILESOC(COc1ccc(F)cc1)CN1CCCC1CN1CCCCC1
InChIInChI=1S/C19H29FN2O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-22-12-4-5-17(22)13-21-10-2-1-3-11-21/h6-9,17-18,23H,1-5,10-15H2
InChIKeyWKWGVJLLCSRDEV-UHFFFAOYSA-N
XLogP2.52
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenoxy)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 111114259
(2S)-1-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 124795003
1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921512
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
CID 21236718
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
1-(4-tert-butylphenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921385
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404
1-(4-fluorophenoxy)-3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-2-ol
CID 154833664
(2S)-1-phenoxy-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426047
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol (CID 110929763) is 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol is OC(COc1ccc(F)cc1)CN1CCCC1CN1CCCCC1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is WKWGVJLLCSRDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c20-16-6-8-19(9-7-16)24-15-18(23)14-22-12-4-5-17(22)13-21-10-2-1-3-11-21/h6-9,17-18,23H,1-5,10-15H2.
What are the key properties of 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol?
1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 336.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 110929763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).