[3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol

C13H24N4O — CID 77088374

IUPAC[3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol
SMILESCN(C)CC1(CO)CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C13H24N4O/c1-16(2)8-13(10-18)4-3-5-17(9-13)7-12-6-14-11-15-12/h6,11,18H,3-5,7-10H2,1-2H3,(H,14,15)
InChIKeyHBYMINALDZBZJO-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.55
Rot. Bonds5

About [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol

[3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol (PubChem CID 77088374) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol
PubChem CID77088374
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol
SMILESCN(C)CC1(CO)CCCN(Cc2cnc[nH]2)C1
InChIInChI=1S/C13H24N4O/c1-16(2)8-13(10-18)4-3-5-17(9-13)7-12-6-14-11-15-12/h6,11,18H,3-5,7-10H2,1-2H3,(H,14,15)
InChIKeyHBYMINALDZBZJO-UHFFFAOYSA-N
XLogP0.55
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
{3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undec-1-yl}methanol
CID 74239602
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
[4-({methyl[(4-methyl-1H-imidazol-2-yl)methyl]amino}methyl)tetrahydro-2H-pyran-4-yl]methanol
CID 74233960
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 99939521
(1-{[[(2-butyl-1H-imidazol-4-yl)methyl](methyl)amino]methyl}cyclobutyl)methanol
CID 129617737
[1-[2-[2-Methanimidoyl-3-(3,3,3-trifluoro-2-methylpropyl)imidazol-4-yl]-1,2-dihydropyrimidin-6-yl]piperidin-3-yl]methanol
CID 163931778
2-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45179437
{3-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-piperidinyl}methanol
CID 72843654

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol (CID 77088374) is [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol is CN(C)CC1(CO)CCCN(Cc2cnc[nH]2)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is HBYMINALDZBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16(2)8-13(10-18)4-3-5-17(9-13)7-12-6-14-11-15-12/h6,11,18H,3-5,7-10H2,1-2H3,(H,14,15).
What are the key properties of [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol?
[3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 252.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 77088374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).