(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol

C16H24N2O — CID 104929024

IUPAC(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N2CC=C(C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H24N2O/c1-12(19)13-5-6-15(17-11-13)18-9-7-14(8-10-18)16(2,3)4/h5-7,11-12,19H,8-10H2,1-4H3/t12-/m0/s1
InChIKeyBPIOJGWNVJNRST-LBPRGKRZSA-N
MW260.38 g/mol
LogP3.32
Rot. Bonds2

About (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol

(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol (PubChem CID 104929024) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol
PubChem CID104929024
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N2CC=C(C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H24N2O/c1-12(19)13-5-6-15(17-11-13)18-9-7-14(8-10-18)16(2,3)4/h5-7,11-12,19H,8-10H2,1-4H3/t12-/m0/s1
InChIKeyBPIOJGWNVJNRST-LBPRGKRZSA-N
XLogP3.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol (CID 104929024) is (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol is C[C@H](O)c1ccc(N2CC=C(C(C)(C)C)CC2)nc1.
What is the InChIKey of (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol?
The InChIKey is BPIOJGWNVJNRST-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(19)13-5-6-15(17-11-13)18-9-7-14(8-10-18)16(2,3)4/h5-7,11-12,19H,8-10H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol?
(1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol has a molecular weight of 260.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 104929024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).