(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

C19H33N3O2 — CID 72863024

IUPAC(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1(C)C
InChIInChI=1S/C19H33N3O2/c1-18(2)13-22(9-8-19(18,23)14-24-3)12-16-11-20-17(21-16)10-15-6-4-5-7-15/h11,15,23H,4-10,12-14H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyZZNAORUIZNGFME-LJQANCHMSA-N
MW335.49 g/mol
LogP2.75
Rot. Bonds6

About (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol

(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (PubChem CID 72863024) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
PubChem CID72863024
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
SMILESCOC[C@]1(O)CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1(C)C
InChIInChI=1S/C19H33N3O2/c1-18(2)13-22(9-8-19(18,23)14-24-3)12-16-11-20-17(21-16)10-15-6-4-5-7-15/h11,15,23H,4-10,12-14H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyZZNAORUIZNGFME-LJQANCHMSA-N
XLogP2.75
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol with MolForge

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
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
7-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-oxa-7-azaspiro[4.5]decane
CID 72892323
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
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
2-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45179437
9-[(2-Butyl-1H-imidazol-4-YL)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-OL
CID 72867792
2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 28309927
2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-cyclopentylpiperazin-2-yl]ethanol
CID 29026940

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol (CID 72863024) is (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is COC[C@]1(O)CCN(Cc2cnc(CC3CCCC3)[nH]2)CC1(C)C.
What is the InChIKey of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
The InChIKey is ZZNAORUIZNGFME-LJQANCHMSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-18(2)13-22(9-8-19(18,23)14-24-3)12-16-11-20-17(21-16)10-15-6-4-5-7-15/h11,15,23H,4-10,12-14H2,1-3H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol?
(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol has a molecular weight of 335.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 72863024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).