1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol

C12H19N3O — CID 112624325

IUPAC1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cnccc2CN)C1
InChIInChI=1S/C12H19N3O/c1-9(16)11-3-5-15(8-11)12-7-14-4-2-10(12)6-13/h2,4,7,9,11,16H,3,5-6,8,13H2,1H3
InChIKeyHJRGTOPPGKHURG-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.75
Rot. Bonds3

About 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624325) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID112624325
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cnccc2CN)C1
InChIInChI=1S/C12H19N3O/c1-9(16)11-3-5-15(8-11)12-7-14-4-2-10(12)6-13/h2,4,7,9,11,16H,3,5-6,8,13H2,1H3
InChIKeyHJRGTOPPGKHURG-UHFFFAOYSA-N
XLogP0.75
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(aminomethyl)-2,3-difluorophenyl]pyrrolidin-3-yl]ethanol
CID 107933036
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
CID 114889778
1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624192
1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
1-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]ethanol
CID 113234220

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol (CID 112624325) is 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2cnccc2CN)C1.
What is the InChIKey of 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is HJRGTOPPGKHURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(16)11-3-5-15(8-11)12-7-14-4-2-10(12)6-13/h2,4,7,9,11,16H,3,5-6,8,13H2,1H3.
What are the key properties of 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(aminomethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).