[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol

C17H28N2O3 — CID 97141120

IUPAC[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2nccc(OC)c2OC)C1
InChIInChI=1S/C17H28N2O3/c1-4-7-17(13-20)8-5-10-19(12-17)11-14-16(22-3)15(21-2)6-9-18-14/h6,9,20H,4-5,7-8,10-13H2,1-3H3/t17-/m0/s1
InChIKeySMWYFUZUURERFS-KRWDZBQOSA-N
MW308.42 g/mol
LogP2.47
Rot. Bonds7

About [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol

[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 97141120) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID97141120
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@]1(CO)CCCN(Cc2nccc(OC)c2OC)C1
InChIInChI=1S/C17H28N2O3/c1-4-7-17(13-20)8-5-10-19(12-17)11-14-16(22-3)15(21-2)6-9-18-14/h6,9,20H,4-5,7-8,10-13H2,1-3H3/t17-/m0/s1
InChIKeySMWYFUZUURERFS-KRWDZBQOSA-N
XLogP2.47
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol (CID 97141120) is [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol is CCC[C@]1(CO)CCCN(Cc2nccc(OC)c2OC)C1.
What is the InChIKey of [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is SMWYFUZUURERFS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-7-17(13-20)8-5-10-19(12-17)11-14-16(22-3)15(21-2)6-9-18-14/h6,9,20H,4-5,7-8,10-13H2,1-3H3/t17-/m0/s1.
What are the key properties of [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol?
[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 308.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 97141120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).