[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol

C12H19N3O — CID 112624351

IUPAC[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
SMILESNCC(c1cccnc1)N1CCC(CO)C1
InChIInChI=1S/C12H19N3O/c13-6-12(11-2-1-4-14-7-11)15-5-3-10(8-15)9-16/h1-2,4,7,10,12,16H,3,5-6,8-9,13H2
InChIKeyJOZBDGWWOSJADC-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.40
Rot. Bonds4

About [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol

[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol (PubChem CID 112624351) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
PubChem CID112624351
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol
SMILESNCC(c1cccnc1)N1CCC(CO)C1
InChIInChI=1S/C12H19N3O/c13-6-12(11-2-1-4-14-7-11)15-5-3-10(8-15)9-16/h1-2,4,7,10,12,16H,3,5-6,8-9,13H2
InChIKeyJOZBDGWWOSJADC-UHFFFAOYSA-N
XLogP0.40
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]ethanol
CID 114797039
2-(3-morpholin-4-ylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 63172030
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
[1-[2-amino-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 112624466
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382
2-(2-methylpyrrolidin-1-yl)-2-pyridin-3-ylethanamine
CID 60973443
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
2-(2,6-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 82041284
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine
CID 102725488
1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680
3-[(3-butylpyrrolidin-1-yl)-phenylmethyl]pyridine
CID 23381417
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol (CID 112624351) is [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol is NCC(c1cccnc1)N1CCC(CO)C1.
What is the InChIKey of [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol?
The InChIKey is JOZBDGWWOSJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-6-12(11-2-1-4-14-7-11)15-5-3-10(8-15)9-16/h1-2,4,7,10,12,16H,3,5-6,8-9,13H2.
What are the key properties of [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol?
[1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-1-pyridin-3-ylethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).