[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol

C12H19N3O — CID 81236983

IUPAC[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
SMILESCC1CN(c2ccncc2CO)CCN1C
InChIInChI=1S/C12H19N3O/c1-10-8-15(6-5-14(10)2)12-3-4-13-7-11(12)9-16/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyOAMNNTDVVNTCDR-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.71
Rot. Bonds2

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

[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol (PubChem CID 81236983) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
PubChem CID81236983
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
SMILESCC1CN(c2ccncc2CO)CCN1C
InChIInChI=1S/C12H19N3O/c1-10-8-15(6-5-14(10)2)12-3-4-13-7-11(12)9-16/h3-4,7,10,16H,5-6,8-9H2,1-2H3
InChIKeyOAMNNTDVVNTCDR-UHFFFAOYSA-N
XLogP0.71
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol (CID 81236983) is [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol is CC1CN(c2ccncc2CO)CCN1C.
What is the InChIKey of [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol?
The InChIKey is OAMNNTDVVNTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-8-15(6-5-14(10)2)12-3-4-13-7-11(12)9-16/h3-4,7,10,16H,5-6,8-9H2,1-2H3.
What are the key properties of [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol?
[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 81236983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).