(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol

C22H34N4O — CID 95135172

IUPAC(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
SMILESCC(C)Cn1c(CN2CCC(N3CCC[C@H](O)C3)CC2)nc2ccccc21
InChIInChI=1S/C22H34N4O/c1-17(2)14-26-21-8-4-3-7-20(21)23-22(26)16-24-12-9-18(10-13-24)25-11-5-6-19(27)15-25/h3-4,7-8,17-19,27H,5-6,9-16H2,1-2H3/t19-/m0/s1
InChIKeyRIKSLKLMGRVERX-IBGZPJMESA-N
MW370.54 g/mol
LogP3.11
Rot. Bonds5

About (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol

(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol (PubChem CID 95135172) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
PubChem CID95135172
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol
SMILESCC(C)Cn1c(CN2CCC(N3CCC[C@H](O)C3)CC2)nc2ccccc21
InChIInChI=1S/C22H34N4O/c1-17(2)14-26-21-8-4-3-7-20(21)23-22(26)16-24-12-9-18(10-13-24)25-11-5-6-19(27)15-25/h3-4,7-8,17-19,27H,5-6,9-16H2,1-2H3/t19-/m0/s1
InChIKeyRIKSLKLMGRVERX-IBGZPJMESA-N
XLogP3.11
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol?
The IUPAC name of (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol (CID 95135172) is (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol is CC(C)Cn1c(CN2CCC(N3CCC[C@H](O)C3)CC2)nc2ccccc21.
What is the InChIKey of (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol?
The InChIKey is RIKSLKLMGRVERX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N4O/c1-17(2)14-26-21-8-4-3-7-20(21)23-22(26)16-24-12-9-18(10-13-24)25-11-5-6-19(27)15-25/h3-4,7-8,17-19,27H,5-6,9-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol?
(3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol has a molecular weight of 370.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 95135172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).