2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol

C21H29N3O — CID 133376301

IUPAC2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc(NC2CCN(C3CCCCC3O)CC2)c2ccccc2n1
InChIInChI=1S/C21H29N3O/c1-15-14-19(17-6-2-3-7-18(17)22-15)23-16-10-12-24(13-11-16)20-8-4-5-9-21(20)25/h2-3,6-7,14,16,20-21,25H,4-5,8-13H2,1H3,(H,22,23)
InChIKeyFSPLLSNTPFHYBR-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.72
Rot. Bonds3

About 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133376301) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID133376301
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc(NC2CCN(C3CCCCC3O)CC2)c2ccccc2n1
InChIInChI=1S/C21H29N3O/c1-15-14-19(17-6-2-3-7-18(17)22-15)23-16-10-12-24(13-11-16)20-8-4-5-9-21(20)25/h2-3,6-7,14,16,20-21,25H,4-5,8-13H2,1H3,(H,22,23)
InChIKeyFSPLLSNTPFHYBR-UHFFFAOYSA-N
XLogP3.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
CID 166183861
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylquinolin-4-amine
CID 133336114
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
N-(2-chlorocyclohexyl)-2-methylquinolin-4-amine
CID 65028937
2-[4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133472742
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192
N-(2,2-dimethylcyclopropyl)-2-methylquinolin-4-amine
CID 61223865
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylquinolin-4-amine
CID 60858147

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol (CID 133376301) is 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol is Cc1cc(NC2CCN(C3CCCCC3O)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is FSPLLSNTPFHYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-14-19(17-6-2-3-7-18(17)22-15)23-16-10-12-24(13-11-16)20-8-4-5-9-21(20)25/h2-3,6-7,14,16,20-21,25H,4-5,8-13H2,1H3,(H,22,23).
What are the key properties of 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133376301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).