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

C17H35N3 — CID 43749029

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCCN1CCCC(C(C)NC(C)CN2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-4-19-12-8-9-17(14-19)16(3)18-15(2)13-20-10-6-5-7-11-20/h15-18H,4-14H2,1-3H3
InChIKeyYMOWSQYNCKUTCG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

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

N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43749029) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43749029
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCCN1CCCC(C(C)NC(C)CN2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-4-19-12-8-9-17(14-19)16(3)18-15(2)13-20-10-6-5-7-11-20/h15-18H,4-14H2,1-3H3
InChIKeyYMOWSQYNCKUTCG-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 43749029) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine is CCN1CCCC(C(C)NC(C)CN2CCCCC2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is YMOWSQYNCKUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-19-12-8-9-17(14-19)16(3)18-15(2)13-20-10-6-5-7-11-20/h15-18H,4-14H2,1-3H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43749029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).