2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

C17H29N3O — CID 23723941

IUPAC2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2cccnc2)CC1CCO
InChIInChI=1S/C17H29N3O/c1-17(2,3)14-20-9-8-19(13-16(20)6-10-21)12-15-5-4-7-18-11-15/h4-5,7,11,16,21H,6,8-10,12-14H2,1-3H3
InChIKeyFPHIEWMFPYDVJV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol

2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 23723941) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID23723941
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2cccnc2)CC1CCO
InChIInChI=1S/C17H29N3O/c1-17(2,3)14-20-9-8-19(13-16(20)6-10-21)12-15-5-4-7-18-11-15/h4-5,7,11,16,21H,6,8-10,12-14H2,1-3H3
InChIKeyFPHIEWMFPYDVJV-UHFFFAOYSA-N
XLogP2.00
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol (CID 23723941) is 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is CC(C)(C)CN1CCN(Cc2cccnc2)CC1CCO.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is FPHIEWMFPYDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)14-20-9-8-19(13-16(20)6-10-21)12-15-5-4-7-18-11-15/h4-5,7,11,16,21H,6,8-10,12-14H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol?
2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23723941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).