1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one

C15H29NO3 — CID 82690835

IUPAC1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)N1CCC(OCCO)CC1)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(15(2,3)4)11-14(18)16-7-5-13(6-8-16)19-10-9-17/h12-13,17H,5-11H2,1-4H3
InChIKeyHQYCGJMZJNFNNQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.06
Rot. Bonds5

About 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one

1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one (PubChem CID 82690835) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
PubChem CID82690835
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC(CC(=O)N1CCC(OCCO)CC1)C(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(15(2,3)4)11-14(18)16-7-5-13(6-8-16)19-10-9-17/h12-13,17H,5-11H2,1-4H3
InChIKeyHQYCGJMZJNFNNQ-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chloroethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701754
1-[4-(2-aminoethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82701727
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methoxy-3-methylbutan-1-one
CID 82691506
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]pentan-1-one
CID 82693542
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
4-hydroxy-1-[4-(2-hydroxyethoxy)piperidin-1-yl]butan-1-one
CID 82693325
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
CID 82695486
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one
CID 82696316
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119621897
2-[[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 82015397

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one (CID 82690835) is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one is CC(CC(=O)N1CCC(OCCO)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The InChIKey is HQYCGJMZJNFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(15(2,3)4)11-14(18)16-7-5-13(6-8-16)19-10-9-17/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one?
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one has a molecular weight of 271.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 82690835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).