(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone

C15H28N2O2 — CID 114429600

IUPAC(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCCC1CCNC(C(=O)N2CCCCCC2CO)C1
InChIInChI=1S/C15H28N2O2/c1-2-12-7-8-16-14(10-12)15(19)17-9-5-3-4-6-13(17)11-18/h12-14,16,18H,2-11H2,1H3
InChIKeyPMNQCCXVQBZGGW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.53
Rot. Bonds3

About (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone

(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone (PubChem CID 114429600) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
PubChem CID114429600
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
SMILESCCC1CCNC(C(=O)N2CCCCCC2CO)C1
InChIInChI=1S/C15H28N2O2/c1-2-12-7-8-16-14(10-12)15(19)17-9-5-3-4-6-13(17)11-18/h12-14,16,18H,2-11H2,1H3
InChIKeyPMNQCCXVQBZGGW-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(4-ethylpiperidine-2-carbonyl)piperidin-2-yl]acetate
CID 114428609
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
methyl 1-(4-ethylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114428408
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
4-ethyl-2-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511445

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The IUPAC name of (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone (CID 114429600) is (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The canonical SMILES for (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone is CCC1CCNC(C(=O)N2CCCCCC2CO)C1.
What is the InChIKey of (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
The InChIKey is PMNQCCXVQBZGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-12-7-8-16-14(10-12)15(19)17-9-5-3-4-6-13(17)11-18/h12-14,16,18H,2-11H2,1H3.
What are the key properties of (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone?
(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone has a molecular weight of 268.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone is sourced from PubChem (CID 114429600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).