4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C12H20ClN3O — CID 120961758

IUPAC4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1ccc(CNCC2CNCC2O)nc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-9-2-3-11(15-4-9)7-13-5-10-6-14-8-12(10)16;/h2-4,10,12-14,16H,5-8H2,1H3;1H
InChIKeyQRPIOVUQXIBBEZ-UHFFFAOYSA-N
MW257.76 g/mol
LogP0.48
Rot. Bonds4

About 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120961758) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120961758
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCc1ccc(CNCC2CNCC2O)nc1.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-9-2-3-11(15-4-9)7-13-5-10-6-14-8-12(10)16;/h2-4,10,12-14,16H,5-8H2,1H3;1H
InChIKeyQRPIOVUQXIBBEZ-UHFFFAOYSA-N
XLogP0.48
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylcyclopropyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 115698887
4-[[(2-bromo-4-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962257
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962692
N-[4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120963160
1-cyclohex-3-en-1-yl-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80709369
4-[[[6-(N-methylanilino)-3-pyridinyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962078
4-[[(4-bromo-2-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962614
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961852
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
4-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962048
3-[(5-methyl-2-pyridinyl)methylamino]cyclobutan-1-ol
CID 81312592

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120961758) is 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cc1ccc(CNCC2CNCC2O)nc1.Cl.
What is the InChIKey of 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is QRPIOVUQXIBBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-9-2-3-11(15-4-9)7-13-5-10-6-14-8-12(10)16;/h2-4,10,12-14,16H,5-8H2,1H3;1H.
What are the key properties of 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120961758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).