1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol

C13H28N2O — CID 106837804

IUPAC1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
SMILESCNCC(C)(C)CN1CCC(C(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-11(16)12-5-7-15(8-6-12)10-13(2,3)9-14-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyPQAIXBWLUBVLBI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds5

About 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol

1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol (PubChem CID 106837804) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
PubChem CID106837804
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
SMILESCNCC(C)(C)CN1CCC(C(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-11(16)12-5-7-15(8-6-12)10-13(2,3)9-14-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyPQAIXBWLUBVLBI-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
CID 112629123
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 103935797
N,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol
CID 106839752
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
CID 106837734
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
2-methyl-1-[4-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63854648
N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539596

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol (CID 106837804) is 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol is CNCC(C)(C)CN1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol?
The InChIKey is PQAIXBWLUBVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(16)12-5-7-15(8-6-12)10-13(2,3)9-14-4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol?
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).