[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol

C17H21N3O — CID 61252606

IUPAC[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
SMILESCc1cccc(N2CCN(c3ccc(CO)cn3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-14-3-2-4-16(11-14)19-7-9-20(10-8-19)17-6-5-15(13-21)12-18-17/h2-6,11-12,21H,7-10,13H2,1H3
InChIKeyKMXFEHOXEUSSFY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.21
Rot. Bonds3

About [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol

[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol (PubChem CID 61252606) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
PubChem CID61252606
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
SMILESCc1cccc(N2CCN(c3ccc(CO)cn3)CC2)c1
InChIInChI=1S/C17H21N3O/c1-14-3-2-4-16(11-14)19-7-9-20(10-8-19)17-6-5-15(13-21)12-18-17/h2-6,11-12,21H,7-10,13H2,1H3
InChIKeyKMXFEHOXEUSSFY-UHFFFAOYSA-N
XLogP2.21
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine
CID 79827724
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
CID 71683732
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113014312

Frequently Asked Questions

What is the IUPAC name of [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol?
The IUPAC name of [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol (CID 61252606) is [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol is Cc1cccc(N2CCN(c3ccc(CO)cn3)CC2)c1.
What is the InChIKey of [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol?
The InChIKey is KMXFEHOXEUSSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-3-2-4-16(11-14)19-7-9-20(10-8-19)17-6-5-15(13-21)12-18-17/h2-6,11-12,21H,7-10,13H2,1H3.
What are the key properties of [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol?
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol has a molecular weight of 283.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 61252606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).