3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol

C14H29NO — CID 62205780

IUPAC3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
SMILESCCCC1CCN(CC(O)C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-6-12-7-9-15(10-8-12)11-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyRKVJXLDETZCOLY-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds4

About 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol

3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol (PubChem CID 62205780) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
PubChem CID62205780
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
SMILESCCCC1CCN(CC(O)C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-6-12-7-9-15(10-8-12)11-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyRKVJXLDETZCOLY-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-ol
CID 130501782
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
(2R)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327071
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95327073
3-hydroxy-4-(4-propylazepan-1-yl)butanoic acid
CID 82771064
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol (CID 62205780) is 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol is CCCC1CCN(CC(O)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol?
The InChIKey is RKVJXLDETZCOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-6-12-7-9-15(10-8-12)11-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol?
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 62205780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).