2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol

C10H22N2O — CID 130503327

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol
SMILESCC1CCCN(C(C)CO)C1CN
InChIInChI=1S/C10H22N2O/c1-8-4-3-5-12(9(2)7-13)10(8)6-11/h8-10,13H,3-7,11H2,1-2H3
InChIKeyWGSFLVNCCWVBDX-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.43
Rot. Bonds3

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol (PubChem CID 130503327) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol
PubChem CID130503327
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol
SMILESCC1CCCN(C(C)CO)C1CN
InChIInChI=1S/C10H22N2O/c1-8-4-3-5-12(9(2)7-13)10(8)6-11/h8-10,13H,3-7,11H2,1-2H3
InChIKeyWGSFLVNCCWVBDX-UHFFFAOYSA-N
XLogP0.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-methylpyrrolidin-1-yl)propan-1-ol
CID 127007454
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-methylbutanoic acid
CID 79414421
[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine
CID 114832334
2-(2-methylpiperidin-1-yl)propan-1-ol
CID 44827710
[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
(2R)-2-(2-methylazetidin-1-yl)propan-1-ol
CID 104550441
(1-cyclopropyl-3-methylpiperidin-2-yl)methanamine
CID 103439574
2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
CID 130502556
4-(2,3-dimethylpiperidin-1-yl)pentan-2-amine
CID 64707838
[3-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-2-yl]methanamine
CID 65077738
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol (CID 130503327) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol is CC1CCCN(C(C)CO)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol?
The InChIKey is WGSFLVNCCWVBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8-4-3-5-12(9(2)7-13)10(8)6-11/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol is sourced from PubChem (CID 130503327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).