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

C16H30N4O — CID 56730044

IUPAC1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CN(C)Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C16H30N4O/c1-6-20-9-7-8-16(21,12-20)11-18(4)10-15-13(2)17-19(5)14(15)3/h21H,6-12H2,1-5H3
InChIKeyBJBNWJZNRGVTBX-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.32
Rot. Bonds5

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

1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol (PubChem CID 56730044) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
PubChem CID56730044
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
SMILESCCN1CCCC(O)(CN(C)Cc2c(C)nn(C)c2C)C1
InChIInChI=1S/C16H30N4O/c1-6-20-9-7-8-16(21,12-20)11-18(4)10-15-13(2)17-19(5)14(15)3/h21H,6-12H2,1-5H3
InChIKeyBJBNWJZNRGVTBX-UHFFFAOYSA-N
XLogP1.32
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-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-Methyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol
CID 56728245
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-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
The IUPAC name of 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol (CID 56730044) is 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
The canonical SMILES for 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol is CCN1CCCC(O)(CN(C)Cc2c(C)nn(C)c2C)C1.
What is the InChIKey of 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
The InChIKey is BJBNWJZNRGVTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-20-9-7-8-16(21,12-20)11-18(4)10-15-13(2)17-19(5)14(15)3/h21H,6-12H2,1-5H3.
What are the key properties of 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol?
1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol has a molecular weight of 294.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 56730044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).