azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C14H26N2O2 — CID 106835725

IUPACazepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)13-6-10-16(11-7-13)14(18)15-8-4-2-3-5-9-15/h12-13,17H,2-11H2,1H3
InChIKeyBBZBMNWMKSSWMS-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.08
Rot. Bonds1

About azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106835725) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106835725
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameazepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)13-6-10-16(11-7-13)14(18)15-8-4-2-3-5-9-15/h12-13,17H,2-11H2,1H3
InChIKeyBBZBMNWMKSSWMS-UHFFFAOYSA-N
XLogP2.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoacetic acid
CID 124680668
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616
cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129410243
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
2-chloro-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103881627
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
[4-(1-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 106836044
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 106835725) is azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is BBZBMNWMKSSWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(17)13-6-10-16(11-7-13)14(18)15-8-4-2-3-5-9-15/h12-13,17H,2-11H2,1H3.
What are the key properties of azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106835725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).