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

C17H29N3 — CID 62656324

IUPACN',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCC1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C17H29N3/c1-19(2)14-17(16-9-5-4-6-10-16)18-12-15-8-7-11-20(3)13-15/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3
InChIKeyCEQVEEYMZDRBLL-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.22
Rot. Bonds6

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

N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 62656324) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
PubChem CID62656324
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCN(C)CC(NCC1CCCN(C)C1)c1ccccc1
InChIInChI=1S/C17H29N3/c1-19(2)14-17(16-9-5-4-6-10-16)18-12-15-8-7-11-20(3)13-15/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3
InChIKeyCEQVEEYMZDRBLL-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N',N'-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43308300
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
CID 80553252
3-[(1-methylpyrrolidin-3-yl)methylamino]-3-phenylpropanenitrile
CID 55117722
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
CID 64538451
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
CID 62658319
(1S)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanyl-1-phenylethanamine
CID 99615093
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine (CID 62656324) is N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine is CN(C)CC(NCC1CCCN(C)C1)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is CEQVEEYMZDRBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-19(2)14-17(16-9-5-4-6-10-16)18-12-15-8-7-11-20(3)13-15/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.22, 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-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62656324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).