[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol

C17H30N4O — CID 99948168

IUPAC[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ncc(CN2CCC(N3CCC[C@H](CO)C3)CC2)n1C
InChIInChI=1S/C17H30N4O/c1-14-18-10-17(19(14)2)12-20-8-5-16(6-9-20)21-7-3-4-15(11-21)13-22/h10,15-16,22H,3-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyRVVLYHBPYCOKMJ-HNNXBMFYSA-N
MW306.45 g/mol
LogP1.40
Rot. Bonds4

About [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol

[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 99948168) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID99948168
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ncc(CN2CCC(N3CCC[C@H](CO)C3)CC2)n1C
InChIInChI=1S/C17H30N4O/c1-14-18-10-17(19(14)2)12-20-8-5-16(6-9-20)21-7-3-4-15(11-21)13-22/h10,15-16,22H,3-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyRVVLYHBPYCOKMJ-HNNXBMFYSA-N
XLogP1.40
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 45191799
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
2-[1-[[(3R)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
CID 29025684
[(3S)-1-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 25366802
[(3R)-1-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]piperidin-3-yl]methanol
CID 25366798
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
[1-[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 176504656
[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97286238

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol (CID 99948168) is [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol is Cc1ncc(CN2CCC(N3CCC[C@H](CO)C3)CC2)n1C.
What is the InChIKey of [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is RVVLYHBPYCOKMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14-18-10-17(19(14)2)12-20-8-5-16(6-9-20)21-7-3-4-15(11-21)13-22/h10,15-16,22H,3-9,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol?
[(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 306.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 99948168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).