1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol

C13H29N3O — CID 43165778

IUPAC1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-4-7-14-10-13(17)11-16(3)12-5-8-15(2)9-6-12/h12-14,17H,4-11H2,1-3H3
InChIKeyIXYNETLNVGFLMM-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds7

About 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol

1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol (PubChem CID 43165778) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
PubChem CID43165778
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-4-7-14-10-13(17)11-16(3)12-5-8-15(2)9-6-12/h12-14,17H,4-11H2,1-3H3
InChIKeyIXYNETLNVGFLMM-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
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-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
CID 61437207
1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]propan-2-ol
CID 55004070
3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 82776291
1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
CID 43270304
ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
N,2-dimethyl-N-(4-methylcyclohexyl)-N'-propylpropane-1,3-diamine
CID 55069274
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62425566
1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 62044225
1-(4-fluorophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4300673
(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol (CID 43165778) is 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol is CCCNCC(O)CN(C)C1CCN(C)CC1.
What is the InChIKey of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol?
The InChIKey is IXYNETLNVGFLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-7-14-10-13(17)11-16(3)12-5-8-15(2)9-6-12/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol?
1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(1-methylpiperidin-4-yl)amino]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 43165778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).