1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol

C22H30N6O — CID 177317959

IUPAC1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCNCC3)cc(Nc3ccc(C4CC4)cn3)n2)CC1
InChIInChI=1S/C22H30N6O/c29-19-5-9-28(10-6-19)22-14-18(27-11-7-23-8-12-27)13-21(26-22)25-20-4-3-17(15-24-20)16-1-2-16/h3-4,13-16,19,23,29H,1-2,5-12H2,(H,24,25,26)
InChIKeyLLQHMNAXGBATEW-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.47
Rot. Bonds5

About 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol

1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol (PubChem CID 177317959) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
PubChem CID177317959
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2cc(N3CCNCC3)cc(Nc3ccc(C4CC4)cn3)n2)CC1
InChIInChI=1S/C22H30N6O/c29-19-5-9-28(10-6-19)22-14-18(27-11-7-23-8-12-27)13-21(26-22)25-20-4-3-17(15-24-20)16-1-2-16/h3-4,13-16,19,23,29H,1-2,5-12H2,(H,24,25,26)
InChIKeyLLQHMNAXGBATEW-UHFFFAOYSA-N
XLogP2.47
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol with MolForge

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Related Compounds

1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]pyrrolidin-3-ol
CID 177317932
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-3-ol
CID 177317957
(3S,4S)-1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-3-fluoropiperidin-4-ol
CID 177318071
1-[6-[(5-chloro-4-fluoro-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]-4,4-difluoropiperidin-3-ol
CID 177317936
1-[4-(4-hydroxycyclohexyl)phenyl]piperidin-4-ol
CID 54277612
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-5-methyl-2-pyridinyl)-4-piperazin-1-ylpyridin-2-amine
CID 177317974
1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
1,2-dimethyl-N-[5-(4-piperazin-1-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-amine
CID 175159451
1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine
CID 162142355
6-(3,3-difluoropyrrolidin-1-yl)-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-piperazin-1-ylpyridin-2-amine
CID 177318004
7-(2,8-diazaspiro[4.5]decan-8-yl)-5-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-3H-1,8-naphthyridin-4-one
CID 175872393
5-piperidin-4-yl-2-pyrrolidin-1-ylpyridine;dihydrochloride
CID 163230170

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol (CID 177317959) is 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol is OC1CCN(c2cc(N3CCNCC3)cc(Nc3ccc(C4CC4)cn3)n2)CC1.
What is the InChIKey of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol?
The InChIKey is LLQHMNAXGBATEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c29-19-5-9-28(10-6-19)22-14-18(27-11-7-23-8-12-27)13-21(26-22)25-20-4-3-17(15-24-20)16-1-2-16/h3-4,13-16,19,23,29H,1-2,5-12H2,(H,24,25,26).
What are the key properties of 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol?
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol has a molecular weight of 394.52 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 177317959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).