1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol

C17H19NO — CID 66459097

IUPAC1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol
SMILESCC(c1ccccn1)C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H19NO/c1-13(15-9-5-6-12-18-15)16(19)17(10-11-17)14-7-3-2-4-8-14/h2-9,12-13,16,19H,10-11H2,1H3
InChIKeyXJZRBKIQNJPLLK-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.28
Rot. Bonds4

About 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol

1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 66459097) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol
PubChem CID66459097
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol
SMILESCC(c1ccccn1)C(O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H19NO/c1-13(15-9-5-6-12-18-15)16(19)17(10-11-17)14-7-3-2-4-8-14/h2-9,12-13,16,19H,10-11H2,1H3
InChIKeyXJZRBKIQNJPLLK-UHFFFAOYSA-N
XLogP3.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylcyclopropyl)-2-pyridin-4-ylpropan-1-ol
CID 66461680
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
2-(1-fluoroethyl)pyridine;1-pyridin-2-ylethanol
CID 161183941
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
CID 174659940
(4-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methanol
CID 66271184
[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84716993
1-(1,1-dioxothiolan-3-yl)-2-pyridin-2-ylpropan-1-ol
CID 66460317

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol (CID 66459097) is 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol is CC(c1ccccn1)C(O)C1(c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is XJZRBKIQNJPLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(15-9-5-6-12-18-15)16(19)17(10-11-17)14-7-3-2-4-8-14/h2-9,12-13,16,19H,10-11H2,1H3.
What are the key properties of 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol?
1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 66459097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).