N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C15H31N3 — CID 54952865

IUPACN-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NC(C)C1CCN(C)CC1
InChIInChI=1S/C15H31N3/c1-13(12-18-8-4-5-9-18)16-14(2)15-6-10-17(3)11-7-15/h13-16H,4-12H2,1-3H3
InChIKeyYQWMUWBNBRBTSK-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 54952865) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID54952865
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NC(C)C1CCN(C)CC1
InChIInChI=1S/C15H31N3/c1-13(12-18-8-4-5-9-18)16-14(2)15-6-10-17(3)11-7-15/h13-16H,4-12H2,1-3H3
InChIKeyYQWMUWBNBRBTSK-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993042
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
N-[1-(1-methylpiperidin-4-yl)ethyl]hexan-2-amine
CID 62196752
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
4-methoxy-N-[1-(1-methylpiperidin-4-yl)ethyl]butan-2-amine
CID 64604411
N-[1-(1-methylpiperidin-4-yl)ethyl]but-3-yn-2-amine
CID 114415483
2-(azepan-1-yl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238621
N-(1-cyclohexylethyl)-1-morpholin-4-ylpropan-2-amine
CID 43779482
N-(1-cyclopropylethyl)butan-2-amine
CID 43190238
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 43307393
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993376
1-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-2-amine
CID 43307539

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 54952865) is N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NC(C)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is YQWMUWBNBRBTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(12-18-8-4-5-9-18)16-14(2)15-6-10-17(3)11-7-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[1-(1-methylpiperidin-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 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-4-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 54952865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).