1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol

C37H46N8O2 — CID 159301074

IUPAC1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol
SMILESOC1(Cc2cccc(NC3=NCC=C3)n2)CCN(Cc2ccccc2)CC1.OC1(Cc2cccc(NC3=NCC=C3)n2)CCNCC1
InChIInChI=1S/C22H26N4O.C15H20N4O/c27-22(11-14-26(15-12-22)17-18-6-2-1-3-7-18)16-19-8-4-9-21(24-19)25-20-10-5-13-23-20;20-15(6-9-16-10-7-15)11-12-3-1-4-14(18-12)19-13-5-2-8-17-13/h1-10,27H,11-17H2,(H,23,24,25);1-5,16,20H,6-11H2,(H,17,18,19)
InChIKeyLBIOAQMASCZFBX-UHFFFAOYSA-N
MW634.83 g/mol
LogP4.15
Rot. Bonds8

About 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol

1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol (PubChem CID 159301074) has the molecular formula C37H46N8O2 and a molecular weight of 634.83 g/mol. Its IUPAC name is 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol
PubChem CID159301074
Molecular FormulaC37H46N8O2
Molecular Weight634.83 g/mol
Exact Mass634.37
IUPAC Name1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol
SMILESOC1(Cc2cccc(NC3=NCC=C3)n2)CCN(Cc2ccccc2)CC1.OC1(Cc2cccc(NC3=NCC=C3)n2)CCNCC1
InChIInChI=1S/C22H26N4O.C15H20N4O/c27-22(11-14-26(15-12-22)17-18-6-2-1-3-7-18)16-19-8-4-9-21(24-19)25-20-10-5-13-23-20;20-15(6-9-16-10-7-15)11-12-3-1-4-14(18-12)19-13-5-2-8-17-13/h1-10,27H,11-17H2,(H,23,24,25);1-5,16,20H,6-11H2,(H,17,18,19)
InChIKeyLBIOAQMASCZFBX-UHFFFAOYSA-N
XLogP4.15
TPSA130.29 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500634.83
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol
CID 51059263
4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol
CID 66889445
1-benzyl-4-[(4-methylphenyl)methyl]piperidin-4-ol
CID 10592641
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
azane;1-benzylpiperazine
CID 174866973
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(2-phenylethynyl)piperidin-4-ol;hydrochloride
CID 171669346
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol (CID 159301074) is 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol is OC1(Cc2cccc(NC3=NCC=C3)n2)CCN(Cc2ccccc2)CC1.OC1(Cc2cccc(NC3=NCC=C3)n2)CCNCC1.
What is the InChIKey of 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol?
The InChIKey is LBIOAQMASCZFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.C15H20N4O/c27-22(11-14-26(15-12-22)17-18-6-2-1-3-7-18)16-19-8-4-9-21(24-19)25-20-10-5-13-23-20;20-15(6-9-16-10-7-15)11-12-3-1-4-14(18-12)19-13-5-2-8-17-13/h1-10,27H,11-17H2,(H,23,24,25);1-5,16,20H,6-11H2,(H,17,18,19).
What are the key properties of 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol?
1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol has a molecular weight of 634.83 g/mol, XLogP of 4.15, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol;4-[[6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidin-4-ol is sourced from PubChem (CID 159301074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).