[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol

C19H28N4O — CID 109482213

IUPAC[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1nn(C)cc1CNc1ccccc1CN1CCC(CO)CC1
InChIInChI=1S/C19H28N4O/c1-15-18(12-22(2)21-15)11-20-19-6-4-3-5-17(19)13-23-9-7-16(14-24)8-10-23/h3-6,12,16,20,24H,7-11,13-14H2,1-2H3
InChIKeyABGJRYWMXVVZNW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.54
Rot. Bonds6

About [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol

[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 109482213) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
PubChem CID109482213
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
SMILESCc1nn(C)cc1CNc1ccccc1CN1CCC(CO)CC1
InChIInChI=1S/C19H28N4O/c1-15-18(12-22(2)21-15)11-20-19-6-4-3-5-17(19)13-23-9-7-16(14-24)8-10-23/h3-6,12,16,20,24H,7-11,13-14H2,1-2H3
InChIKeyABGJRYWMXVVZNW-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 110932857
[1-[[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111778087
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
N,N-diethyl-2-[2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]acetamide
CID 110932866
[1-[4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 109479915
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
CID 111432948
N-(2-aminophenyl)-2,3,5,6-tetradeuterio-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 172653232
5-[(1,3-dimethylpyrazol-4-yl)methylamino]naphthalen-1-ol
CID 83089796
N-(cyclopropylmethyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 83090529
N-(cyclopropylmethyl)-2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 92633802
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725
N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 115768047

Frequently Asked Questions

What is the IUPAC name of [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol (CID 109482213) is [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is Cc1nn(C)cc1CNc1ccccc1CN1CCC(CO)CC1.
What is the InChIKey of [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is ABGJRYWMXVVZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-18(12-22(2)21-15)11-20-19-6-4-3-5-17(19)13-23-9-7-16(14-24)8-10-23/h3-6,12,16,20,24H,7-11,13-14H2,1-2H3.
What are the key properties of [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol?
[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 328.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 109482213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).