[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone

C13H25N3O2 — CID 43592211

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone
SMILESCC1CCC(C(=O)N2CCN(CCO)CC2)CN1
InChIInChI=1S/C13H25N3O2/c1-11-2-3-12(10-14-11)13(18)16-6-4-15(5-7-16)8-9-17/h11-12,14,17H,2-10H2,1H3
InChIKeyXKINZVFSUMJSNA-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.49
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone (PubChem CID 43592211) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone
PubChem CID43592211
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone
SMILESCC1CCC(C(=O)N2CCN(CCO)CC2)CN1
InChIInChI=1S/C13H25N3O2/c1-11-2-3-12(10-14-11)13(18)16-6-4-15(5-7-16)8-9-17/h11-12,14,17H,2-10H2,1H3
InChIKeyXKINZVFSUMJSNA-UHFFFAOYSA-N
XLogP-0.49
TPSA55.81 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 ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62778021
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55177070
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
[4-(methoxymethyl)piperidin-1-yl]-(6-methylpiperidin-3-yl)methanone
CID 63978051
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 43416228
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone
CID 113335731
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
1-[4-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 63308410
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 43501363
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone (CID 43592211) is [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone is CC1CCC(C(=O)N2CCN(CCO)CC2)CN1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone?
The InChIKey is XKINZVFSUMJSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11-2-3-12(10-14-11)13(18)16-6-4-15(5-7-16)8-9-17/h11-12,14,17H,2-10H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 43592211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).