(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H25N3O2 — CID 55134344

IUPAC(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C13H25N3O2/c14-12-3-1-2-11(10-12)13(18)16-6-4-15(5-7-16)8-9-17/h11-12,17H,1-10,14H2
InChIKeyIKOWSJBWBJNDMG-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.36
Rot. Bonds3

About (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 55134344) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID55134344
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNC1CCCC(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C13H25N3O2/c14-12-3-1-2-11(10-12)13(18)16-6-4-15(5-7-16)8-9-17/h11-12,17H,1-10,14H2
InChIKeyIKOWSJBWBJNDMG-UHFFFAOYSA-N
XLogP-0.36
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[3-(2-aminoethyl)cyclohexyl]-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226614
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 119859687
2-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844122
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
(2-aminocyclopentyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 64823507
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 55134344) is (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is NC1CCCC(C(=O)N2CCN(CCO)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is IKOWSJBWBJNDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-12-3-1-2-11(10-12)13(18)16-6-4-15(5-7-16)8-9-17/h11-12,17H,1-10,14H2.
What are the key properties of (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55134344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).