[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol

C24H29N3O — CID 133400586

IUPAC[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCCc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H29N3O/c1-2-20-15-24(22-5-3-4-6-23(22)26-20)25-16-18-7-9-21(10-8-18)27-13-11-19(17-28)12-14-27/h3-10,15,19,28H,2,11-14,16-17H2,1H3,(H,25,26)
InChIKeyWXQYLZIMCZJGBZ-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.62
Rot. Bonds6

About [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol

[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 133400586) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
PubChem CID133400586
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
SMILESCCc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C24H29N3O/c1-2-20-15-24(22-5-3-4-6-23(22)26-20)25-16-18-7-9-21(10-8-18)27-13-11-19(17-28)12-14-27/h3-10,15,19,28H,2,11-14,16-17H2,1H3,(H,25,26)
InChIKeyWXQYLZIMCZJGBZ-UHFFFAOYSA-N
XLogP4.62
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 133400585
2-ethyl-N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]quinolin-4-amine
CID 133405160
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133402118
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430578
3-[[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylamino]methyl]phenol
CID 75405291
N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133404937
N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 110908399
2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide
CID 110905358
[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
CID 110432713
[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478

Frequently Asked Questions

What is the IUPAC name of [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol (CID 133400586) is [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol is CCc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc2n1.
What is the InChIKey of [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is WXQYLZIMCZJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-20-15-24(22-5-3-4-6-23(22)26-20)25-16-18-7-9-21(10-8-18)27-13-11-19(17-28)12-14-27/h3-10,15,19,28H,2,11-14,16-17H2,1H3,(H,25,26).
What are the key properties of [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol?
[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 375.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 133400586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).