2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol

C12H25NO — CID 117024655

IUPAC2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
SMILESCCCN1CCC(CCO)C(C)(C)C1
InChIInChI=1S/C12H25NO/c1-4-7-13-8-5-11(6-9-14)12(2,3)10-13/h11,14H,4-10H2,1-3H3
InChIKeyRCFVSWQEMFGYNL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds4

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

2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol (PubChem CID 117024655) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
PubChem CID117024655
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
SMILESCCCN1CCC(CCO)C(C)(C)C1
InChIInChI=1S/C12H25NO/c1-4-7-13-8-5-11(6-9-14)12(2,3)10-13/h11,14H,4-10H2,1-3H3
InChIKeyRCFVSWQEMFGYNL-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methyl-1,4-dipropylpiperidine
CID 172566839
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
CID 117017383
2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
CID 117024642
2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
CID 117024798
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017387
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844
3,3,5-trimethyl-1-propylazepane
CID 18798135
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
2-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017392
[3,3-dimethyl-1-(oxolan-2-ylmethyl)piperidin-4-yl]methanol
CID 117024917
2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024630

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol?
The IUPAC name of 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol (CID 117024655) is 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol?
The canonical SMILES for 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol is CCCN1CCC(CCO)C(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol?
The InChIKey is RCFVSWQEMFGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-13-8-5-11(6-9-14)12(2,3)10-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol?
2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol is sourced from PubChem (CID 117024655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).