1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine

C20H25N3O — CID 77089532

IUPAC1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine
SMILESc1ccc(C2(CN3CCN(c4cccnc4)CC3)CCOC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-5-18(6-3-1)20(8-14-24-17-20)16-22-10-12-23(13-11-22)19-7-4-9-21-15-19/h1-7,9,15H,8,10-14,16-17H2
InChIKeyOPOXVIKHZRYNBW-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.56
Rot. Bonds4

About 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine

1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine (PubChem CID 77089532) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine
PubChem CID77089532
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine
SMILESc1ccc(C2(CN3CCN(c4cccnc4)CC3)CCOC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-5-18(6-3-1)20(8-14-24-17-20)16-22-10-12-23(13-11-22)19-7-4-9-21-15-19/h1-7,9,15H,8,10-14,16-17H2
InChIKeyOPOXVIKHZRYNBW-UHFFFAOYSA-N
XLogP2.56
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine
CID 99930454
1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 30705120
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 99928933
N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide
CID 77093204
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
3-(oxolan-3-ylmethyl)-11-pyridin-3-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 134077551
1-[(2,2-dimethyloxan-4-yl)methyl]-4-pyridin-3-ylpiperazine
CID 77080780
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46988116
3,5-dimethyl-1-[1-[[(3S)-3-phenyloxolan-3-yl]methyl]azetidin-3-yl]pyrazole
CID 99945990
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine (CID 77089532) is 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine is c1ccc(C2(CN3CCN(c4cccnc4)CC3)CCOC2)cc1.
What is the InChIKey of 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine?
The InChIKey is OPOXVIKHZRYNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-5-18(6-3-1)20(8-14-24-17-20)16-22-10-12-23(13-11-22)19-7-4-9-21-15-19/h1-7,9,15H,8,10-14,16-17H2.
What are the key properties of 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine?
1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine has a molecular weight of 323.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyloxolan-3-yl)methyl]-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 77089532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).