1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol

C19H30FN3O — CID 11427643

IUPAC1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol
SMILESCNCC(CCN1CC(N2CCC(O)CC2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H30FN3O/c1-21-12-16(15-2-4-17(20)5-3-15)6-9-22-13-18(14-22)23-10-7-19(24)8-11-23/h2-5,16,18-19,21,24H,6-14H2,1H3
InChIKeyPKBBOUFAWOJQCG-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.66
Rot. Bonds7

About 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol

1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol (PubChem CID 11427643) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol
PubChem CID11427643
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol
SMILESCNCC(CCN1CC(N2CCC(O)CC2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H30FN3O/c1-21-12-16(15-2-4-17(20)5-3-15)6-9-22-13-18(14-22)23-10-7-19(24)8-11-23/h2-5,16,18-19,21,24H,6-14H2,1H3
InChIKeyPKBBOUFAWOJQCG-UHFFFAOYSA-N
XLogP1.66
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-1-[2-(3-fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 23641142
1-[(2R)-1-[(1-phenylcyclopropyl)methyl]piperazin-2-yl]ethanol
CID 23723051
(3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol
CID 9859994
US11214540, Example 25
CID 142475217
1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
CID 23641160
(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride
CID 52942942
US9994546, Example 106
CID 118297945
(2S)-2-[(3R)-3-(cyclohexylmethyl)-4-[2-(4-methylphenyl)ethyl]piperazin-1-yl]-3-(methylamino)propan-1-ol
CID 127053354
1-[1-[2-[3,5-Bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
CID 73756080
1-[1-[2-(3-Fluorophenyl)ethyl]piperazin-2-yl]ethanol
CID 73758978
4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine
CID 11485734
4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butan-2-ol
CID 12972972

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol (CID 11427643) is 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol is CNCC(CCN1CC(N2CCC(O)CC2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol?
The InChIKey is PKBBOUFAWOJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-21-12-16(15-2-4-17(20)5-3-15)6-9-22-13-18(14-22)23-10-7-19(24)8-11-23/h2-5,16,18-19,21,24H,6-14H2,1H3.
What are the key properties of 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol?
1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol has a molecular weight of 335.47 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-fluorophenyl)-4-(methylamino)butyl]azetidin-3-yl]piperidin-4-ol is sourced from PubChem (CID 11427643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).