(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol

C16H30N4O — CID 95339517

IUPAC(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCCn1ccnc1CN(C)CC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C16H30N4O/c1-4-20-10-7-17-16(20)13-18(3)12-15-5-8-19(9-6-15)11-14(2)21/h7,10,14-15,21H,4-6,8-9,11-13H2,1-3H3/t14-/m1/s1
InChIKeyIRYSHURODVHVJF-CQSZACIVSA-N
MW294.44 g/mol
LogP1.43
Rot. Bonds7

About (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95339517) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95339517
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCCn1ccnc1CN(C)CC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C16H30N4O/c1-4-20-10-7-17-16(20)13-18(3)12-15-5-8-19(9-6-15)11-14(2)21/h7,10,14-15,21H,4-6,8-9,11-13H2,1-3H3/t14-/m1/s1
InChIKeyIRYSHURODVHVJF-CQSZACIVSA-N
XLogP1.43
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

4-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95313414
(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95340517
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
(2R)-1-[4-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95757646
3-[[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344064
3-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344063
N-[(1-ethylimidazol-2-yl)methyl]-1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42517995
1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86893871
(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 98725832
N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032
3-amino-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylbutanamide;dihydrochloride
CID 120503814

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95339517) is (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol is CCn1ccnc1CN(C)CC1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is IRYSHURODVHVJF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-20-10-7-17-16(20)13-18(3)12-15-5-8-19(9-6-15)11-14(2)21/h7,10,14-15,21H,4-6,8-9,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95339517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).