1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol

C18H33N5O — CID 56728243

IUPAC1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
SMILESCc1nn(C)c(C)c1CN1CCN(CC2(O)CCCN(C)C2)CC1
InChIInChI=1S/C18H33N5O/c1-15-17(16(2)21(4)19-15)12-22-8-10-23(11-9-22)14-18(24)6-5-7-20(3)13-18/h24H,5-14H2,1-4H3
InChIKeyHYCZQKKHGMZLMT-UHFFFAOYSA-N
MW335.50 g/mol
LogP0.61
Rot. Bonds4

About 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol

1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol (PubChem CID 56728243) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
PubChem CID56728243
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
SMILESCc1nn(C)c(C)c1CN1CCN(CC2(O)CCCN(C)C2)CC1
InChIInChI=1S/C18H33N5O/c1-15-17(16(2)21(4)19-15)12-22-8-10-23(11-9-22)14-18(24)6-5-7-20(3)13-18/h24H,5-14H2,1-4H3
InChIKeyHYCZQKKHGMZLMT-UHFFFAOYSA-N
XLogP0.61
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

1-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
N-(2-piperidin-1-ylethyl)-N-[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 164639511
2-{1-(cyclohexylmethyl)-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45172236
2-{4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-2-piperazinyl}ethanol
CID 45173780
2-{1-cyclopentyl-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45174667
2-[4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methyl-2-buten-1-yl)-2-piperazinyl]ethanol
CID 45184323
2-{1-isobutyl-4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45187034
2-[4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 45187943
2-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methyl-2-piperazinyl}ethanol
CID 45188701
2-{1-(2,2-dimethylpropyl)-4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-piperazinyl}ethanol
CID 45193539

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol (CID 56728243) is 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol is Cc1nn(C)c(C)c1CN1CCN(CC2(O)CCCN(C)C2)CC1.
What is the InChIKey of 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol?
The InChIKey is HYCZQKKHGMZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-15-17(16(2)21(4)19-15)12-22-8-10-23(11-9-22)14-18(24)6-5-7-20(3)13-18/h24H,5-14H2,1-4H3.
What are the key properties of 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol?
1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol has a molecular weight of 335.50 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 56728243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).