(4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol

C12H21N3O — CID 72866596

IUPAC(4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2cnc[nH]2)CC[C@]1(C)O
InChIInChI=1S/C12H21N3O/c1-11(2)8-15(5-4-12(11,3)16)7-10-6-13-9-14-10/h6,9,16H,4-5,7-8H2,1-3H3,(H,13,14)/t12-/m0/s1
InChIKeySFHJUNYXLHGGSV-LBPRGKRZSA-N
MW223.32 g/mol
LogP1.39
Rot. Bonds2

About (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol

(4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol (PubChem CID 72866596) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol
PubChem CID72866596
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2cnc[nH]2)CC[C@]1(C)O
InChIInChI=1S/C12H21N3O/c1-11(2)8-15(5-4-12(11,3)16)7-10-6-13-9-14-10/h6,9,16H,4-5,7-8H2,1-3H3,(H,13,14)/t12-/m0/s1
InChIKeySFHJUNYXLHGGSV-LBPRGKRZSA-N
XLogP1.39
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70773840
(3R*,4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,4-dimethylpiperidin-4-ol
CID 70775672
(4S)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72863024
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
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
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
[3-[(dimethylamino)methyl]-1-(1H-imidazol-4-ylmethyl)piperidin-3-yl]methanol
CID 77088374
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
(1-{[[(2-butyl-1H-imidazol-4-yl)methyl](methyl)amino]methyl}cyclobutyl)methanol
CID 129617737
3-[fluoro(1H-imidazol-5-yl)methyl]-3-azaspiro[5.5]undecane
CID 67009950

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol (CID 72866596) is (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol is CC1(C)CN(Cc2cnc[nH]2)CC[C@]1(C)O.
What is the InChIKey of (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is SFHJUNYXLHGGSV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)8-15(5-4-12(11,3)16)7-10-6-13-9-14-10/h6,9,16H,4-5,7-8H2,1-3H3,(H,13,14)/t12-/m0/s1.
What are the key properties of (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 223.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(1H-imidazol-5-ylmethyl)-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 72866596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).