(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol

C20H28N4O — CID 45252313

IUPAC(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
SMILESCN1CCN([C@@H]2CCN(Cc3cccc4ncccc34)C[C@H]2O)CC1
InChIInChI=1S/C20H28N4O/c1-22-10-12-24(13-11-22)19-7-9-23(15-20(19)25)14-16-4-2-6-18-17(16)5-3-8-21-18/h2-6,8,19-20,25H,7,9-15H2,1H3/t19-,20-/m1/s1
InChIKeyCWUCPHRPNLEFNJ-WOJBJXKFSA-N
MW340.47 g/mol
LogP1.42
Rot. Bonds3

About (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol

(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol (PubChem CID 45252313) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
PubChem CID45252313
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol
SMILESCN1CCN([C@@H]2CCN(Cc3cccc4ncccc34)C[C@H]2O)CC1
InChIInChI=1S/C20H28N4O/c1-22-10-12-24(13-11-22)19-7-9-23(15-20(19)25)14-16-4-2-6-18-17(16)5-3-8-21-18/h2-6,8,19-20,25H,7,9-15H2,1H3/t19-,20-/m1/s1
InChIKeyCWUCPHRPNLEFNJ-WOJBJXKFSA-N
XLogP1.42
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 28768711
(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 29000908
(3R,4R)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 29211765
(3R,4R)-1-[(5-chlorothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 56853912
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 56854930
2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
CID 28955815
(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 28925767
(3aR,5R,6R,7aS)-6-(4-methylpiperazin-1-yl)-2-quinolin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172673916
(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 30675368
2-[[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 56711504
N-cyclopropyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56739434
(3R,4R)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 28783299

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol (CID 45252313) is (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol is CN1CCN([C@@H]2CCN(Cc3cccc4ncccc34)C[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol?
The InChIKey is CWUCPHRPNLEFNJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H28N4O/c1-22-10-12-24(13-11-22)19-7-9-23(15-20(19)25)14-16-4-2-6-18-17(16)5-3-8-21-18/h2-6,8,19-20,25H,7,9-15H2,1H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol?
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol has a molecular weight of 340.47 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-methylpiperazin-1-yl)-1-(quinolin-5-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 45252313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).