[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol

C19H28N4O — CID 109479915

IUPAC[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCc1nn(C)cc1CNCc1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C19H28N4O/c1-15-18(13-22(2)21-15)12-20-11-16-3-5-19(6-4-16)23-9-7-17(14-24)8-10-23/h3-6,13,17,20,24H,7-12,14H2,1-2H3
InChIKeySBUFEMPZLICUIQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.23
Rot. Bonds6

About [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol

[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 109479915) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
PubChem CID109479915
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCc1nn(C)cc1CNCc1ccc(N2CCC(CO)CC2)cc1
InChIInChI=1S/C19H28N4O/c1-15-18(13-22(2)21-15)12-20-11-16-3-5-19(6-4-16)23-9-7-17(14-24)8-10-23/h3-6,13,17,20,24H,7-12,14H2,1-2H3
InChIKeySBUFEMPZLICUIQ-UHFFFAOYSA-N
XLogP2.23
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943
[1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 111436552
[1-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905918
3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
CID 75405291
[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 109482213
1-(3-cyclopropylphenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112668473
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-2-fluorophenol
CID 103851784
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 115989461
2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115768183
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
[4-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanamine
CID 19627282

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol (CID 109479915) is [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol is Cc1nn(C)cc1CNCc1ccc(N2CCC(CO)CC2)cc1.
What is the InChIKey of [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is SBUFEMPZLICUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-18(13-22(2)21-15)12-20-11-16-3-5-19(6-4-16)23-9-7-17(14-24)8-10-23/h3-6,13,17,20,24H,7-12,14H2,1-2H3.
What are the key properties of [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol?
[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 328.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 109479915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).