4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol

C13H28N2O — CID 106349071

IUPAC4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol
SMILESCN1CCCC(NC(CCO)C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(7-9-16)14-11-6-5-8-15(4)10-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyPJJVELKXSKYYDH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds4

About 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol

4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol (PubChem CID 106349071) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol
PubChem CID106349071
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol
SMILESCN1CCCC(NC(CCO)C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)12(7-9-16)14-11-6-5-8-15(4)10-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyPJJVELKXSKYYDH-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

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Related Compounds

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
CID 104663685
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 106348908
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81418718
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
4-(2-hydroxyethyl)-N-(1-methylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 115150990
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 107251060
3-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 104925922
N-[(1S)-1-iodoethyl]-1-methylazepan-3-amine
CID 134444032

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol (CID 106349071) is 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol is CN1CCCC(NC(CCO)C(C)(C)C)C1.
What is the InChIKey of 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol?
The InChIKey is PJJVELKXSKYYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)12(7-9-16)14-11-6-5-8-15(4)10-11/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol?
4,4-dimethyl-3-[(1-methylpiperidin-3-yl)amino]pentan-1-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-3-[(1-methylpiperidin-3-yl)amino]pentan-1-ol is sourced from PubChem (CID 106349071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).