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

C18H31N3O — CID 72931447

IUPAC(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2cnc(CC3CCCC3)[nH]2)CC[C@]1(C)O
InChIInChI=1S/C18H31N3O/c1-17(2)13-21(9-8-18(17,3)22)12-15-11-19-16(20-15)10-14-6-4-5-7-14/h11,14,22H,4-10,12-13H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyQDMKULSTLGGSEO-SFHVURJKSA-N
MW305.47 g/mol
LogP3.13
Rot. Bonds4

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

(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol (PubChem CID 72931447) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol.

Molecular Properties

Compound Name(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol
PubChem CID72931447
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol
SMILESCC1(C)CN(Cc2cnc(CC3CCCC3)[nH]2)CC[C@]1(C)O
InChIInChI=1S/C18H31N3O/c1-17(2)13-21(9-8-18(17,3)22)12-15-11-19-16(20-15)10-14-6-4-5-7-14/h11,14,22H,4-10,12-13H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyQDMKULSTLGGSEO-SFHVURJKSA-N
XLogP3.13
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-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
(4S)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72863024
7-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-oxa-7-azaspiro[4.5]decane
CID 72892323
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
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
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
1-{2-[[(1,2-dimethyl-1H-imidazol-5-yl)methyl](methyl)amino]ethyl}cyclopentanol
CID 129624712

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The IUPAC name of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol (CID 72931447) is (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol.
What is the SMILES notation for (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The canonical SMILES for (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol is CC1(C)CN(Cc2cnc(CC3CCCC3)[nH]2)CC[C@]1(C)O.
What is the InChIKey of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
The InChIKey is QDMKULSTLGGSEO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H31N3O/c1-17(2)13-21(9-8-18(17,3)22)12-15-11-19-16(20-15)10-14-6-4-5-7-14/h11,14,22H,4-10,12-13H2,1-3H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol?
(4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol has a molecular weight of 305.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3,3,4-trimethylpiperidin-4-ol is sourced from PubChem (CID 72931447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).