1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol

C18H27NO — CID 21420913

IUPAC1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol
SMILESOC(CC1CCCC1)(CC1CCCC1)c1cccnc1
InChIInChI=1S/C18H27NO/c20-18(12-15-6-1-2-7-15,13-16-8-3-4-9-16)17-10-5-11-19-14-17/h5,10-11,14-16,20H,1-4,6-9,12-13H2
InChIKeyJKYHUNFWVZCMEV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.43
Rot. Bonds5

About 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol

1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol (PubChem CID 21420913) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol
PubChem CID21420913
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol
SMILESOC(CC1CCCC1)(CC1CCCC1)c1cccnc1
InChIInChI=1S/C18H27NO/c20-18(12-15-6-1-2-7-15,13-16-8-3-4-9-16)17-10-5-11-19-14-17/h5,10-11,14-16,20H,1-4,6-9,12-13H2
InChIKeyJKYHUNFWVZCMEV-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol (CID 21420913) is 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol is OC(CC1CCCC1)(CC1CCCC1)c1cccnc1.
What is the InChIKey of 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol?
The InChIKey is JKYHUNFWVZCMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-18(12-15-6-1-2-7-15,13-16-8-3-4-9-16)17-10-5-11-19-14-17/h5,10-11,14-16,20H,1-4,6-9,12-13H2.
What are the key properties of 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol?
1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopentyl-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 21420913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).