[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C16H30N2O3 — CID 111432780

IUPAC[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CCOCCO)CC2)C1
InChIInChI=1S/C16H30N2O3/c1-14-3-2-6-18(13-14)16(20)15-4-7-17(8-5-15)9-11-21-12-10-19/h14-15,19H,2-13H2,1H3
InChIKeyDFAQVZWVTFHSIS-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.97
Rot. Bonds6

About [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 111432780) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID111432780
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CCOCCO)CC2)C1
InChIInChI=1S/C16H30N2O3/c1-14-3-2-6-18(13-14)16(20)15-4-7-17(8-5-15)9-11-21-12-10-19/h14-15,19H,2-13H2,1H3
InChIKeyDFAQVZWVTFHSIS-UHFFFAOYSA-N
XLogP0.97
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 95127390
[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 120847877
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79160343
2-[(3-ethyl-1-hydroxypentan-3-yl)amino]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 154756020
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 171153397
2-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]ethanol
CID 61069984

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 111432780) is [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCN(CCOCCO)CC2)C1.
What is the InChIKey of [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is DFAQVZWVTFHSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-14-3-2-6-18(13-14)16(20)15-4-7-17(8-5-15)9-11-21-12-10-19/h14-15,19H,2-13H2,1H3.
What are the key properties of [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 111432780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).