2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine

C23H25N3O — CID 95729769

IUPAC2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESc1ccc(CO[C@H]2CCCN(Cc3ccc(-c4cccnc4)cc3)C2)nc1
InChIInChI=1S/C23H25N3O/c1-2-13-25-22(6-1)18-27-23-7-4-14-26(17-23)16-19-8-10-20(11-9-19)21-5-3-12-24-15-21/h1-3,5-6,8-13,15,23H,4,7,14,16-18H2/t23-/m0/s1
InChIKeyYEXDNZAZUIKEQY-QHCPKHFHSA-N
MW359.47 g/mol
LogP4.32
Rot. Bonds6

About 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine

2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine (PubChem CID 95729769) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
PubChem CID95729769
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESc1ccc(CO[C@H]2CCCN(Cc3ccc(-c4cccnc4)cc3)C2)nc1
InChIInChI=1S/C23H25N3O/c1-2-13-25-22(6-1)18-27-23-7-4-14-26(17-23)16-19-8-10-20(11-9-19)21-5-3-12-24-15-21/h1-3,5-6,8-13,15,23H,4,7,14,16-18H2/t23-/m0/s1
InChIKeyYEXDNZAZUIKEQY-QHCPKHFHSA-N
XLogP4.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine with MolForge

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Related Compounds

2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157017052
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56904179
3-pyridin-3-yl-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687054
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine (CID 95729769) is 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine is c1ccc(CO[C@H]2CCCN(Cc3ccc(-c4cccnc4)cc3)C2)nc1.
What is the InChIKey of 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is YEXDNZAZUIKEQY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-13-25-22(6-1)18-27-23-7-4-14-26(17-23)16-19-8-10-20(11-9-19)21-5-3-12-24-15-21/h1-3,5-6,8-13,15,23H,4,7,14,16-18H2/t23-/m0/s1.
What are the key properties of 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 359.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 95729769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).