3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol

C16H24FN3O — CID 70731573

IUPAC3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCN(c3ccccc3F)CC2)CCNC1
InChIInChI=1S/C16H24FN3O/c17-14-3-1-2-4-15(14)20-9-5-13(6-10-20)19-12-16(21)7-8-18-11-16/h1-4,13,18-19,21H,5-12H2
InChIKeyGAHCFKULHYCJHG-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.11
Rot. Bonds4

About 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol

3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol (PubChem CID 70731573) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol
PubChem CID70731573
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCN(c3ccccc3F)CC2)CCNC1
InChIInChI=1S/C16H24FN3O/c17-14-3-1-2-4-15(14)20-9-5-13(6-10-20)19-12-16(21)7-8-18-11-16/h1-4,13,18-19,21H,5-12H2
InChIKeyGAHCFKULHYCJHG-UHFFFAOYSA-N
XLogP1.11
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(cyclopropylamino)methyl]pyrrolidin-3-ol;hydrochloride
CID 19805339
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
1-[[(1-phenylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103783455
3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452951
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138
3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]-N-(2-methylphenyl)propanamide
CID 131927225
3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol
CID 105464057
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
N-[1-(2-fluorophenyl)piperidin-4-yl]pyrimidin-2-amine
CID 141014633
N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103068745

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol (CID 70731573) is 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol is OC1(CNC2CCN(c3ccccc3F)CC2)CCNC1.
What is the InChIKey of 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol?
The InChIKey is GAHCFKULHYCJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-14-3-1-2-4-15(14)20-9-5-13(6-10-20)19-12-16(21)7-8-18-11-16/h1-4,13,18-19,21H,5-12H2.
What are the key properties of 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol?
3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol has a molecular weight of 293.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(2-fluorophenyl)piperidin-4-yl]amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70731573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).