[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol

C17H21N3O — CID 105066656

IUPAC[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c21-14-16-6-7-18-12-17(16)20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-7,12,21H,8-11,13-14H2
InChIKeyVRIDNBYAFONUOM-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.90
Rot. Bonds4

About [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol

[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol (PubChem CID 105066656) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
PubChem CID105066656
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
SMILESOCc1ccncc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H21N3O/c21-14-16-6-7-18-12-17(16)20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-7,12,21H,8-11,13-14H2
InChIKeyVRIDNBYAFONUOM-UHFFFAOYSA-N
XLogP1.90
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[4-(chloromethyl)-3-pyridinyl]piperazine
CID 105067248
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
CID 105066691
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
1-benzyl-4-(4-nitro-3-pyridinyl)piperazine
CID 71651530
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoic acid
CID 25408292
3-chloro-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline
CID 154878499
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
5-(4-benzylpiperazin-1-yl)-8-nitroisoquinoline
CID 17487002
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol (CID 105066656) is [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol is OCc1ccncc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol?
The InChIKey is VRIDNBYAFONUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-14-16-6-7-18-12-17(16)20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-7,12,21H,8-11,13-14H2.
What are the key properties of [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol?
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol has a molecular weight of 283.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 105066656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).