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

C14H29NO — CID 83061736

IUPAC3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
SMILESCCCC1CCCCN1CC(O)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-5-8-12-9-6-7-10-15(12)11-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyWGQDHHOCNPZHCO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds4

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

3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol (PubChem CID 83061736) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
PubChem CID83061736
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
SMILESCCCC1CCCCN1CC(O)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-5-8-12-9-6-7-10-15(12)11-13(16)14(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyWGQDHHOCNPZHCO-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-[(2-propylpiperidin-1-yl)methyl]butane-1-thiol
CID 83057463
2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
CID 83057094
3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83055638
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83056263
1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83061844
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
N-[2-methyl-3-(2-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 83062043
1-pentyl-2-propylpiperidine
CID 54429991
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
CID 83061902

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol (CID 83061736) is 3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol is CCCC1CCCCN1CC(O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol?
The InChIKey is WGQDHHOCNPZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-12-9-6-7-10-15(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-(2-propylpiperidin-1-yl)butan-2-ol?
3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 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-(2-propylpiperidin-1-yl)butan-2-ol is sourced from PubChem (CID 83061736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).