4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol

C13H28N2O — CID 91662929

IUPAC4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
SMILESCN1CCC(NCC(O)CC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)9-12(16)10-14-11-5-7-15(4)8-6-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyQNZWMYOSKDNUTN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds4

About 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol

4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol (PubChem CID 91662929) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
PubChem CID91662929
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
SMILESCN1CCC(NCC(O)CC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)9-12(16)10-14-11-5-7-15(4)8-6-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyQNZWMYOSKDNUTN-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-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

4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
4,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pentan-2-ol
CID 103784472
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
1-[(1-methylpiperidin-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 60909990
1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
CID 107151493
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol
CID 107151355
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol (CID 91662929) is 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol is CN1CCC(NCC(O)CC(C)(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol?
The InChIKey is QNZWMYOSKDNUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)9-12(16)10-14-11-5-7-15(4)8-6-11/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol?
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 91662929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).