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

C13H25N3O2 — CID 79160343

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-12-3-2-4-16(11-12)13(18)15-7-5-14(6-8-15)9-10-17/h12,17H,2-11H2,1H3
InChIKeyCROFOGWZYWUUTB-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.45
Rot. Bonds2

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

[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 79160343) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID79160343
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN(CCO)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-12-3-2-4-16(11-12)13(18)15-7-5-14(6-8-15)9-10-17/h12,17H,2-11H2,1H3
InChIKeyCROFOGWZYWUUTB-UHFFFAOYSA-N
XLogP0.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159617
(3S)-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125571
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109018325
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
(2R)-1-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 107223995
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580
3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 95127390
3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 61201618
2-[1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61370200
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 79160343) is [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CCN(CCO)CC2)C1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is CROFOGWZYWUUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12-3-2-4-16(11-12)13(18)15-7-5-14(6-8-15)9-10-17/h12,17H,2-11H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79160343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).