N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine

C16H33N3 — CID 107910860

IUPACN-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C16H33N3/c1-14(17-2)15-7-6-11-19(13-15)12-9-16-8-4-5-10-18(16)3/h14-17H,4-13H2,1-3H3
InChIKeyTXRVBJKEPNPHOK-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine

N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine (PubChem CID 107910860) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
PubChem CID107910860
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(CCC2CCCCN2C)C1
InChIInChI=1S/C16H33N3/c1-14(17-2)15-7-6-11-19(13-15)12-9-16-8-4-5-10-18(16)3/h14-17H,4-13H2,1-3H3
InChIKeyTXRVBJKEPNPHOK-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]butanoic acid
CID 81048822
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
CID 63855330
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 107912652
6-[3-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701930
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
CID 107914062
N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide
CID 63891364
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
CID 63854102
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 107912651

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine (CID 107910860) is N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine is CNC(C)C1CCCN(CCC2CCCCN2C)C1.
What is the InChIKey of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is TXRVBJKEPNPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(17-2)15-7-6-11-19(13-15)12-9-16-8-4-5-10-18(16)3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine?
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 107910860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).