2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

C16H23NO — CID 59410243

IUPAC2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCC(C)c1ccc(C2=CCCN(CCO)C2)cc1
InChIInChI=1S/C16H23NO/c1-13(2)14-5-7-15(8-6-14)16-4-3-9-17(12-16)10-11-18/h4-8,13,18H,3,9-12H2,1-2H3
InChIKeyQDXYVNJYLUIRME-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.89
Rot. Bonds4

About 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol

2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (PubChem CID 59410243) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
PubChem CID59410243
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol
SMILESCC(C)c1ccc(C2=CCCN(CCO)C2)cc1
InChIInChI=1S/C16H23NO/c1-13(2)14-5-7-15(8-6-14)16-4-3-9-17(12-16)10-11-18/h4-8,13,18H,3,9-12H2,1-2H3
InChIKeyQDXYVNJYLUIRME-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline
CID 141303290
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine
CID 130207875
1-[4-(4-propan-2-ylphenyl)-2,3-dihydropyrrol-1-yl]prop-2-en-1-one
CID 178084074
N-[2-(4-propan-2-ylphenyl)cyclohex-2-en-1-ylidene]hydroxylamine
CID 71327655
1-(2-hydroxyethyl)-5-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 176647651
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 62908356
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
2,5-bis(4-propan-2-ylphenyl)benzene-1,4-diol
CID 121300355
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The IUPAC name of 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol (CID 59410243) is 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is CC(C)c1ccc(C2=CCCN(CCO)C2)cc1.
What is the InChIKey of 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
The InChIKey is QDXYVNJYLUIRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)14-5-7-15(8-6-14)16-4-3-9-17(12-16)10-11-18/h4-8,13,18H,3,9-12H2,1-2H3.
What are the key properties of 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol?
2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol has a molecular weight of 245.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 59410243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).