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

C13H29N3O — CID 64792457

IUPAC2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
SMILESCCNC(CO)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-4-14-13(11-17)10-16(3)9-12-5-7-15(2)8-6-12/h12-14,17H,4-11H2,1-3H3
InChIKeyBPUCZSYZXAQRMM-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.23
Rot. Bonds7

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

2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol (PubChem CID 64792457) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
PubChem CID64792457
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
SMILESCCNC(CO)CN(C)CC1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-4-14-13(11-17)10-16(3)9-12-5-7-15(2)8-6-12/h12-14,17H,4-11H2,1-3H3
InChIKeyBPUCZSYZXAQRMM-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
4-[cyclohexylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897747
2-(ethylamino)-3-[ethyl(methyl)amino]propan-1-ol
CID 64797636
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 104746229
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanamide
CID 63236572
3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64787425
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 55174034

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol (CID 64792457) is 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol is CCNC(CO)CN(C)CC1CCN(C)CC1.
What is the InChIKey of 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
The InChIKey is BPUCZSYZXAQRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-14-13(11-17)10-16(3)9-12-5-7-15(2)8-6-12/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol?
2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 64792457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).