N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine

C19H33N3 — CID 119165252

IUPACN'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H33N3/c1-17(2)21(3)16-12-20-19-10-14-22(15-11-19)13-9-18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3
InChIKeyAODOGILDSVSDIS-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.62
Rot. Bonds8

About N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 119165252) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID119165252
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC NameN'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H33N3/c1-17(2)21(3)16-12-20-19-10-14-22(15-11-19)13-9-18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3
InChIKeyAODOGILDSVSDIS-UHFFFAOYSA-N
XLogP2.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732624
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082
N,N-dimethyl-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]acetamide
CID 60796882
N-butan-2-yl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanamide
CID 119165178
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine (CID 119165252) is N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is AODOGILDSVSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-17(2)21(3)16-12-20-19-10-14-22(15-11-19)13-9-18-7-5-4-6-8-18/h4-8,17,19-20H,9-16H2,1-3H3.
What are the key properties of N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 303.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 119165252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).