3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol

C12H27N3O — CID 64795781

IUPAC3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CN1CCC(N(C)C)CC1
InChIInChI=1S/C12H27N3O/c1-12(10-16,13-2)9-15-7-5-11(6-8-15)14(3)4/h11,13,16H,5-10H2,1-4H3
InChIKeyFEBHLSUQTNLCNK-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds5

About 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol

3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64795781) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64795781
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CN1CCC(N(C)C)CC1
InChIInChI=1S/C12H27N3O/c1-12(10-16,13-2)9-15-7-5-11(6-8-15)14(3)4/h11,13,16H,5-10H2,1-4H3
InChIKeyFEBHLSUQTNLCNK-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64828332
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
3-(azepan-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64796730
3-[(1-ethylpiperidin-4-yl)-methylamino]-2-methyl-2-(methylamino)propan-1-ol
CID 64828162
1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
CID 66453838
5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428
5-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64795994
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 64828333
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64791067
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 103540808
3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64788397
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol (CID 64795781) is 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(CO)CN1CCC(N(C)C)CC1.
What is the InChIKey of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is FEBHLSUQTNLCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(10-16,13-2)9-15-7-5-11(6-8-15)14(3)4/h11,13,16H,5-10H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol?
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64795781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).