[1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol

C22H32N4O — CID 92641152

IUPAC[1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCc1cccc(-n2ccnc2CN2CCC[C@H](N3CCC(CO)CC3)C2)c1
InChIInChI=1S/C22H32N4O/c1-18-4-2-5-20(14-18)26-13-9-23-22(26)16-24-10-3-6-21(15-24)25-11-7-19(17-27)8-12-25/h2,4-5,9,13-14,19,21,27H,3,6-8,10-12,15-17H2,1H3/t21-/m0/s1
InChIKeyFYVXIPIFEBKQLN-NRFANRHFSA-N
MW368.52 g/mol
LogP2.85
Rot. Bonds5

About [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol

[1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol (PubChem CID 92641152) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol
PubChem CID92641152
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name[1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCc1cccc(-n2ccnc2CN2CCC[C@H](N3CCC(CO)CC3)C2)c1
InChIInChI=1S/C22H32N4O/c1-18-4-2-5-20(14-18)26-13-9-23-22(26)16-24-10-3-6-21(15-24)25-11-7-19(17-27)8-12-25/h2,4-5,9,13-14,19,21,27H,3,6-8,10-12,15-17H2,1H3/t21-/m0/s1
InChIKeyFYVXIPIFEBKQLN-NRFANRHFSA-N
XLogP2.85
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol (CID 92641152) is [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol is Cc1cccc(-n2ccnc2CN2CCC[C@H](N3CCC(CO)CC3)C2)c1.
What is the InChIKey of [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The InChIKey is FYVXIPIFEBKQLN-NRFANRHFSA-N. The full InChI is InChI=1S/C22H32N4O/c1-18-4-2-5-20(14-18)26-13-9-23-22(26)16-24-10-3-6-21(15-24)25-11-7-19(17-27)8-12-25/h2,4-5,9,13-14,19,21,27H,3,6-8,10-12,15-17H2,1H3/t21-/m0/s1.
What are the key properties of [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol?
[1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol has a molecular weight of 368.52 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-1-[[1-(3-methylphenyl)imidazol-2-yl]methyl]piperidin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 92641152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).