1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol

C12H21N3O — CID 19041070

IUPAC1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(CC(O)C2C=CC=CN2)CC1
InChIInChI=1S/C12H21N3O/c1-14-6-8-15(9-7-14)10-12(16)11-4-2-3-5-13-11/h2-5,11-13,16H,6-10H2,1H3
InChIKeyHKYVKPMDZDGMRL-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.36
Rot. Bonds3

About 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol

1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 19041070) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID19041070
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(CC(O)C2C=CC=CN2)CC1
InChIInChI=1S/C12H21N3O/c1-14-6-8-15(9-7-14)10-12(16)11-4-2-3-5-13-11/h2-5,11-13,16H,6-10H2,1H3
InChIKeyHKYVKPMDZDGMRL-UHFFFAOYSA-N
XLogP-0.36
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Dihydropyridin-2-yl)-2-(dimethylamino)ethanol
CID 19041110
1-[2-(aminomethyl)-2H-pyridin-1-yl]propan-2-ol
CID 141799570
1-(Cyclohexa-2,4-dien-1-ylamino)-2-(4-methylpiperazin-1-yl)ethanol
CID 163468025

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol (CID 19041070) is 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol is CN1CCN(CC(O)C2C=CC=CN2)CC1.
What is the InChIKey of 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is HKYVKPMDZDGMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-6-8-15(9-7-14)10-12(16)11-4-2-3-5-13-11/h2-5,11-13,16H,6-10H2,1H3.
What are the key properties of 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol?
1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 223.32 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 1-(1,2-dihydropyridin-2-yl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 19041070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).