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

C14H30N2O2 — CID 107264176

IUPAC1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CCCC(C)C1CN
InChIInChI=1S/C14H30N2O2/c1-3-4-8-18-11-13(17)10-16-7-5-6-12(2)14(16)9-15/h12-14,17H,3-11,15H2,1-2H3
InChIKeyJCYGZCSVJRKIRN-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.22
Rot. Bonds8

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

1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol (PubChem CID 107264176) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol
PubChem CID107264176
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CCCC(C)C1CN
InChIInChI=1S/C14H30N2O2/c1-3-4-8-18-11-13(17)10-16-7-5-6-12(2)14(16)9-15/h12-14,17H,3-11,15H2,1-2H3
InChIKeyJCYGZCSVJRKIRN-UHFFFAOYSA-N
XLogP1.22
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992598
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
1-butoxy-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propan-2-ol
CID 107264156
1-(3-butoxy-2-hydroxypropyl)piperidine-2-carbaldehyde
CID 107264385
1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
CID 107264251
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
(2R)-1-amino-3-butoxypropan-2-ol
CID 34176667
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-butoxy-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 107263917
1-butoxy-3-[3-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 107263914
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol (CID 107264176) is 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol is CCCCOCC(O)CN1CCCC(C)C1CN.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol?
The InChIKey is JCYGZCSVJRKIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-4-8-18-11-13(17)10-16-7-5-6-12(2)14(16)9-15/h12-14,17H,3-11,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol?
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-3-butoxypropan-2-ol is sourced from PubChem (CID 107264176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).