N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine

C18H31N3 — CID 43308300

IUPACN',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
SMILESCC(NC(CN(C)C)c1ccccc1)C1CCCN(C)C1
InChIInChI=1S/C18H31N3/c1-15(17-11-8-12-21(4)13-17)19-18(14-20(2)3)16-9-6-5-7-10-16/h5-7,9-10,15,17-19H,8,11-14H2,1-4H3
InChIKeyGRNBLNKMKBAYOE-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.61
Rot. Bonds6

About N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine

N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine (PubChem CID 43308300) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
PubChem CID43308300
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
SMILESCC(NC(CN(C)C)c1ccccc1)C1CCCN(C)C1
InChIInChI=1S/C18H31N3/c1-15(17-11-8-12-21(4)13-17)19-18(14-20(2)3)16-9-6-5-7-10-16/h5-7,9-10,15,17-19H,8,11-14H2,1-4H3
InChIKeyGRNBLNKMKBAYOE-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 62656324
1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine
CID 43751567
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 43688616
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine (CID 43308300) is N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine is CC(NC(CN(C)C)c1ccccc1)C1CCCN(C)C1.
What is the InChIKey of N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine?
The InChIKey is GRNBLNKMKBAYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(17-11-8-12-21(4)13-17)19-18(14-20(2)3)16-9-6-5-7-10-16/h5-7,9-10,15,17-19H,8,11-14H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine?
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43308300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).