4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol

C12H19N3O — CID 120961741

IUPAC4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCc1ncccc1CNCC1CNCC1O
InChIInChI=1S/C12H19N3O/c1-9-10(3-2-4-15-9)5-13-6-11-7-14-8-12(11)16/h2-4,11-14,16H,5-8H2,1H3
InChIKeyBAXVIHSFZMBHDC-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.06
Rot. Bonds4

About 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol

4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120961741) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120961741
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCc1ncccc1CNCC1CNCC1O
InChIInChI=1S/C12H19N3O/c1-9-10(3-2-4-15-9)5-13-6-11-7-14-8-12(11)16/h2-4,11-14,16H,5-8H2,1H3
InChIKeyBAXVIHSFZMBHDC-UHFFFAOYSA-N
XLogP0.06
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962551
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962086
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
4-[[(2-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962257
4-[[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962758
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129005157
4-[[(4-bromo-2-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962614
1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 115611314
4-[[(2-ethyl-6-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962763
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761583

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol (CID 120961741) is 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol is Cc1ncccc1CNCC1CNCC1O.
What is the InChIKey of 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is BAXVIHSFZMBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-10(3-2-4-15-9)5-13-6-11-7-14-8-12(11)16/h2-4,11-14,16H,5-8H2,1H3.
What are the key properties of 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120961741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).