N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

C23H35F2N4P — CID 170237197

IUPACN-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)CC1CCN(c2ccnc3ccc(C(F)(F)P)cc23)CC1
InChIInChI=1S/C23H35F2N4P/c1-4-28(5-2)15-14-27(3)17-18-9-12-29(13-10-18)22-8-11-26-21-7-6-19(16-20(21)22)23(24,25)30/h6-8,11,16,18H,4-5,9-10,12-15,17,30H2,1-3H3
InChIKeyPHYGYULOEONFFF-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.65
Rot. Bonds9

About N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 170237197) has the molecular formula C23H35F2N4P and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
PubChem CID170237197
Molecular FormulaC23H35F2N4P
Molecular Weight436.53 g/mol
Exact Mass436.26
IUPAC NameN-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)CC1CCN(c2ccnc3ccc(C(F)(F)P)cc23)CC1
InChIInChI=1S/C23H35F2N4P/c1-4-28(5-2)15-14-27(3)17-18-9-12-29(13-10-18)22-8-11-26-21-7-6-19(16-20(21)22)23(24,25)30/h6-8,11,16,18H,4-5,9-10,12-15,17,30H2,1-3H3
InChIKeyPHYGYULOEONFFF-UHFFFAOYSA-N
XLogP4.65
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 141424335
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
N-methyl-N-[[1-(1,6-naphthyridin-5-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 146142054
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402824
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
4-(4-ethoxypiperidin-1-yl)-6-methylquinoline
CID 133466649
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
1-(6-bromoquinolin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 22031560
4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
CID 157041181
1-(3,4-dichlorophenyl)-3-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propan-1-one
CID 146794529
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (CID 170237197) is N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is CCN(CC)CCN(C)CC1CCN(c2ccnc3ccc(C(F)(F)P)cc23)CC1.
What is the InChIKey of N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is PHYGYULOEONFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F2N4P/c1-4-28(5-2)15-14-27(3)17-18-9-12-29(13-10-18)22-8-11-26-21-7-6-19(16-20(21)22)23(24,25)30/h6-8,11,16,18H,4-5,9-10,12-15,17,30H2,1-3H3.
What are the key properties of N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 436.53 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-[difluoro(phosphanyl)methyl]quinolin-4-yl]piperidin-4-yl]methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 170237197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).