[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol

C16H23NO — CID 10800409

IUPAC[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol
SMILESCCC[C@@H]1C=CC[C@H](CO)N1Cc1ccccc1
InChIInChI=1S/C16H23NO/c1-2-7-15-10-6-11-16(13-18)17(15)12-14-8-4-3-5-9-14/h3-6,8-10,15-16,18H,2,7,11-13H2,1H3/t15-,16-/m1/s1
InChIKeyILIYLDKETSTVSZ-HZPDHXFCSA-N
MW245.37 g/mol
LogP2.98
Rot. Bonds5

About [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol

[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol (PubChem CID 10800409) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol
PubChem CID10800409
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol
SMILESCCC[C@@H]1C=CC[C@H](CO)N1Cc1ccccc1
InChIInChI=1S/C16H23NO/c1-2-7-15-10-6-11-16(13-18)17(15)12-14-8-4-3-5-9-14/h3-6,8-10,15-16,18H,2,7,11-13H2,1H3/t15-,16-/m1/s1
InChIKeyILIYLDKETSTVSZ-HZPDHXFCSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
CID 7707970
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol
CID 135137500
[(2S,6R)-1-benzyl-6-(hydroxymethyl)piperazin-2-yl]methanol
CID 163511125
(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol
CID 10550650
[(2R,3R)-1-benzyl-3-ethylaziridin-2-yl]methanol
CID 11435445
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
1-benzyl-6-(hydroxymethyl)piperazine-2-carbaldehyde
CID 174668949

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol?
The IUPAC name of [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol (CID 10800409) is [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol.
What is the SMILES notation for [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol?
The canonical SMILES for [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol is CCC[C@@H]1C=CC[C@H](CO)N1Cc1ccccc1.
What is the InChIKey of [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol?
The InChIKey is ILIYLDKETSTVSZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-7-15-10-6-11-16(13-18)17(15)12-14-8-4-3-5-9-14/h3-6,8-10,15-16,18H,2,7,11-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol?
[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol has a molecular weight of 245.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol is sourced from PubChem (CID 10800409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).