1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol

C13H27NO — CID 114426002

IUPAC1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
SMILESCCC1CCNC(CC(O)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-10-6-7-14-11(8-10)9-12(15)13(2,3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyVWNWCRXOERHPAB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol

1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol (PubChem CID 114426002) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
PubChem CID114426002
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
SMILESCCC1CCNC(CC(O)C(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-5-10-6-7-14-11(8-10)9-12(15)13(2,3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyVWNWCRXOERHPAB-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
4-ethyl-2-(3-methoxy-3-methylbutyl)piperidine
CID 103037375
N-[(4-ethylpiperidin-2-yl)methyl]-N,2,2-trimethylpropan-1-amine
CID 114430998
1-(2,4-dichlorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426133
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
2-(4-ethylpiperidin-2-yl)-1-(4-nitrophenyl)ethanol
CID 114426128
N-[(4-ethylpiperidin-2-yl)methyl]cyclopropanamine
CID 114430809
1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 106676148
(4-ethylpiperidin-2-yl)-pyrrolidin-2-ylmethanol
CID 106639933
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
4-ethyl-2-[2-(trifluoromethylsulfanyl)ethyl]piperidine
CID 116627033

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol (CID 114426002) is 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol is CCC1CCNC(CC(O)C(C)(C)C)C1.
What is the InChIKey of 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is VWNWCRXOERHPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-10-6-7-14-11(8-10)9-12(15)13(2,3)4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol?
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 114426002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).