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

C15H28N4O — CID 56728245

IUPAC1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
SMILESCc1nn(C)c(C)c1CN(C)CC1(O)CCCN(C)C1
InChIInChI=1S/C15H28N4O/c1-12-14(13(2)19(5)16-12)9-18(4)11-15(20)7-6-8-17(3)10-15/h20H,6-11H2,1-5H3
InChIKeyZGUJQPMPGGYHJG-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.93
Rot. Bonds4

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

1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol (PubChem CID 56728245) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
PubChem CID56728245
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
SMILESCc1nn(C)c(C)c1CN(C)CC1(O)CCCN(C)C1
InChIInChI=1S/C15H28N4O/c1-12-14(13(2)19(5)16-12)9-18(4)11-15(20)7-6-8-17(3)10-15/h20H,6-11H2,1-5H3
InChIKeyZGUJQPMPGGYHJG-UHFFFAOYSA-N
XLogP0.93
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-Methyl-3-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]piperidin-3-ol
CID 56728243
1-Ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56730044
4-[[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 72022736
1-{[1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}piperidine-3-carbonitrile
CID 77093882
(1S*,2R*)-2-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}cyclohexanol
CID 86286438
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
(6S)-8-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
CID 164635971
1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75509396
2-[4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 109930315
2,2,2-Trifluoro-1-[1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidin-4-yl]ethanol
CID 109935817
1-[1-[(3,5-Dimethyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935822
1-[1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935854

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
The IUPAC name of 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol (CID 56728245) is 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
The canonical SMILES for 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol is Cc1nn(C)c(C)c1CN(C)CC1(O)CCCN(C)C1.
What is the InChIKey of 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
The InChIKey is ZGUJQPMPGGYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12-14(13(2)19(5)16-12)9-18(4)11-15(20)7-6-8-17(3)10-15/h20H,6-11H2,1-5H3.
What are the key properties of 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol has a molecular weight of 280.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 56728245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).