N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine

C16H33N3 — CID 54899364

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(NCC(C)N1CCCCC1)C1CCCN(C)C1
InChIInChI=1S/C16H33N3/c1-14(19-10-5-4-6-11-19)12-17-15(2)16-8-7-9-18(3)13-16/h14-17H,4-13H2,1-3H3
InChIKeyPUXZDSOTQLTKCY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds5

About N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine

N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 54899364) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID54899364
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
SMILESCC(NCC(C)N1CCCCC1)C1CCCN(C)C1
InChIInChI=1S/C16H33N3/c1-14(19-10-5-4-6-11-19)12-17-15(2)16-8-7-9-18(3)13-16/h14-17H,4-13H2,1-3H3
InChIKeyPUXZDSOTQLTKCY-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

N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-(1-cyclopropylethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79692352
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 113429636
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine (CID 54899364) is N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine is CC(NCC(C)N1CCCCC1)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is PUXZDSOTQLTKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(19-10-5-4-6-11-19)12-17-15(2)16-8-7-9-18(3)13-16/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine?
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine 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-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 54899364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).