2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol

C16H30N4O — CID 146043570

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol
SMILESCc1cc(C)n(CCCN(C)CC(O)C2CCNCC2)n1
InChIInChI=1S/C16H30N4O/c1-13-11-14(2)20(18-13)10-4-9-19(3)12-16(21)15-5-7-17-8-6-15/h11,15-17,21H,4-10,12H2,1-3H3
InChIKeyYUPBPBXRMXFXNK-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.18
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol

2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol (PubChem CID 146043570) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol
PubChem CID146043570
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol
SMILESCc1cc(C)n(CCCN(C)CC(O)C2CCNCC2)n1
InChIInChI=1S/C16H30N4O/c1-13-11-14(2)20(18-13)10-4-9-19(3)12-16(21)15-5-7-17-8-6-15/h11,15-17,21H,4-10,12H2,1-3H3
InChIKeyYUPBPBXRMXFXNK-UHFFFAOYSA-N
XLogP1.18
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 53562126
2-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)morpholine
CID 54592635
((3S,4S)-4-{1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-piperidyl}tetrahydro-1H-pyrrol-3-yl)methanol
CID 91910340
3-[({2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}amino)methyl]piperidin-3-ol
CID 70740945
(3S)-3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]methyl]piperidin-3-ol
CID 95871653
(3R)-3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]methyl]piperidin-3-ol
CID 95871654
3-[3-(3,5-Dimethylpyrazol-1-yl)propylamino]-1,1,1-trifluoropropan-2-ol
CID 104704508
3-[[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]methyl]piperidin-3-ol;dihydrochloride
CID 154894064
[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-4-piperidinyl]methanol
CID 56908326
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-[1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-yl]acetamide
CID 57993457
1-(3,5-Dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol
CID 58099762
3-[(3,5-Dimethylpyrazol-1-yl)methyl]pentan-1-ol
CID 141317490

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol (CID 146043570) is 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol is Cc1cc(C)n(CCCN(C)CC(O)C2CCNCC2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol?
The InChIKey is YUPBPBXRMXFXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13-11-14(2)20(18-13)10-4-9-19(3)12-16(21)15-5-7-17-8-6-15/h11,15-17,21H,4-10,12H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol?
2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol has a molecular weight of 294.44 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-1-piperidin-4-ylethanol is sourced from PubChem (CID 146043570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).