[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol

C16H25N3O2 — CID 111976764

IUPAC[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCC(c1cccnc1)N1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C16H25N3O2/c1-14(15-3-2-4-17-9-15)19-7-5-18(6-8-19)10-16(11-20)12-21-13-16/h2-4,9,14,20H,5-8,10-13H2,1H3
InChIKeyNROSQLNJNJVJTR-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.77
Rot. Bonds5

About [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol

[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol (PubChem CID 111976764) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
PubChem CID111976764
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCC(c1cccnc1)N1CCN(CC2(CO)COC2)CC1
InChIInChI=1S/C16H25N3O2/c1-14(15-3-2-4-17-9-15)19-7-5-18(6-8-19)10-16(11-20)12-21-13-16/h2-4,9,14,20H,5-8,10-13H2,1H3
InChIKeyNROSQLNJNJVJTR-UHFFFAOYSA-N
XLogP0.77
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 75509202
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 65065016
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 56789971
1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 95626118
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 166223958
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol (CID 111976764) is [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol is CC(c1cccnc1)N1CCN(CC2(CO)COC2)CC1.
What is the InChIKey of [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is NROSQLNJNJVJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14(15-3-2-4-17-9-15)19-7-5-18(6-8-19)10-16(11-20)12-21-13-16/h2-4,9,14,20H,5-8,10-13H2,1H3.
What are the key properties of [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol?
[3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 291.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).