(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol

C14H23N3O — CID 114056098

IUPAC(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
SMILESCCC1CN(c2ncccc2[C@H](C)O)CCN1C
InChIInChI=1S/C14H23N3O/c1-4-12-10-17(9-8-16(12)3)14-13(11(2)18)6-5-7-15-14/h5-7,11-12,18H,4,8-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyMFRVOMKJEKSFFW-PXYINDEMSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds3

About (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol

(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol (PubChem CID 114056098) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
PubChem CID114056098
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
SMILESCCC1CN(c2ncccc2[C@H](C)O)CCN1C
InChIInChI=1S/C14H23N3O/c1-4-12-10-17(9-8-16(12)3)14-13(11(2)18)6-5-7-15-14/h5-7,11-12,18H,4,8-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyMFRVOMKJEKSFFW-PXYINDEMSA-N
XLogP1.67
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)pyridin-3-amine
CID 63610642
(1R)-1-[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114055863
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
CID 130211179
3-(3-ethyl-4-methylpiperazin-1-yl)pyrazine-2-carboximidamide
CID 63609018
4-[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazine-2,6-dione
CID 114056149
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80816600
[1-(3-ethyl-4-methylpiperazin-1-yl)isoquinolin-3-yl]methanol
CID 63633971
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80834116
4-(3-ethyl-4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 80834207
5-(3-ethyl-4-methylpiperazin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79603649
[5-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 63633970
6-(3-ethyl-4-methylpiperazin-1-yl)-5-methylpyridin-3-amine
CID 63609284

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol (CID 114056098) is (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol is CCC1CN(c2ncccc2[C@H](C)O)CCN1C.
What is the InChIKey of (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
The InChIKey is MFRVOMKJEKSFFW-PXYINDEMSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-12-10-17(9-8-16(12)3)14-13(11(2)18)6-5-7-15-14/h5-7,11-12,18H,4,8-10H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
(1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 114056098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).