1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol

C11H24N2O2 — CID 103442151

IUPAC1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(C)CC1CN
InChIInChI=1S/C11H24N2O2/c1-9-3-4-13(10(5-9)6-12)7-11(14)8-15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyHLDNLHHROWJFTM-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.05
Rot. Bonds5

About 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol (PubChem CID 103442151) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
PubChem CID103442151
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
SMILESCOCC(O)CN1CCC(C)CC1CN
InChIInChI=1S/C11H24N2O2/c1-9-3-4-13(10(5-9)6-12)7-11(14)8-15-2/h9-11,14H,3-8,12H2,1-2H3
InChIKeyHLDNLHHROWJFTM-UHFFFAOYSA-N
XLogP0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-aminopiperidin-1-yl)-3-methoxypropan-2-ol
CID 95309793
1-Ethoxy-3-(4-methylhexan-2-ylamino)propan-2-ol
CID 59264316
3-[4-(4-Aminobutyl)piperidin-1-yl]propane-1,2-diol
CID 59641697
1-Methoxy-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63929421
1-Methoxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 63929858
1-(4-Aminopiperidin-1-yl)-3-methoxypropan-2-ol
CID 63930213
(2R,3S)-4-methyl-1-(methylamino)-2-piperidin-1-ylpentan-3-ol
CID 67191831
1-[[4-(Aminomethyl)cyclohexyl]-methylamino]-3-methoxypropan-2-ol
CID 68048341
1-(4-Amino-3-methylpiperidin-1-yl)-3-methoxypropan-2-ol
CID 79868212
(3S,4S,5R)-3-amino-5-methyl-1-propan-2-ylpiperidin-4-ol
CID 126486341
3-Amino-5-methyl-1-propan-2-ylpiperidin-4-ol
CID 129310390
3-Amino-1-(3-methylhexan-3-yl)piperidin-4-ol
CID 129310394

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol (CID 103442151) is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol is COCC(O)CN1CCC(C)CC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
The InChIKey is HLDNLHHROWJFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9-3-4-13(10(5-9)6-12)7-11(14)8-15-2/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol?
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 103442151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).