2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine

C23H31N3O — CID 97306930

IUPAC2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN([C@H]3CCCN(Cc4ccccc4)C3)CC2)n1
InChIInChI=1S/C23H31N3O/c1-19-7-5-11-23(24-19)27-22-12-15-26(16-13-22)21-10-6-14-25(18-21)17-20-8-3-2-4-9-20/h2-5,7-9,11,21-22H,6,10,12-18H2,1H3/t21-/m0/s1
InChIKeyXYICZOAVYOAXPN-NRFANRHFSA-N
MW365.52 g/mol
LogP3.90
Rot. Bonds5

About 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine

2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine (PubChem CID 97306930) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine.

Molecular Properties

Compound Name2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine
PubChem CID97306930
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN([C@H]3CCCN(Cc4ccccc4)C3)CC2)n1
InChIInChI=1S/C23H31N3O/c1-19-7-5-11-23(24-19)27-22-12-15-26(16-13-22)21-10-6-14-25(18-21)17-20-8-3-2-4-9-20/h2-5,7-9,11,21-22H,6,10,12-18H2,1H3/t21-/m0/s1
InChIKeyXYICZOAVYOAXPN-NRFANRHFSA-N
XLogP3.90
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine?
The IUPAC name of 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine (CID 97306930) is 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine.
What is the SMILES notation for 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine?
The canonical SMILES for 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine is Cc1cccc(OC2CCN([C@H]3CCCN(Cc4ccccc4)C3)CC2)n1.
What is the InChIKey of 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine?
The InChIKey is XYICZOAVYOAXPN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19-7-5-11-23(24-19)27-22-12-15-26(16-13-22)21-10-6-14-25(18-21)17-20-8-3-2-4-9-20/h2-5,7-9,11,21-22H,6,10,12-18H2,1H3/t21-/m0/s1.
What are the key properties of 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine?
2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine has a molecular weight of 365.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3S)-1-benzylpiperidin-3-yl]piperidin-4-yl]oxy-6-methylpyridine is sourced from PubChem (CID 97306930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).