N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine

C14H23N3 — CID 60860637

IUPACN-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-3-16-14-6-10-17(11-7-14)12(2)13-4-8-15-9-5-13/h4-5,8-9,12,14,16H,3,6-7,10-11H2,1-2H3
InChIKeyHIBZWEHFVHUVLL-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine

N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine (PubChem CID 60860637) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
PubChem CID60860637
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-3-16-14-6-10-17(11-7-14)12(2)13-4-8-15-9-5-13/h4-5,8-9,12,14,16H,3,6-7,10-11H2,1-2H3
InChIKeyHIBZWEHFVHUVLL-UHFFFAOYSA-N
XLogP2.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine (CID 60860637) is N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine is CCNC1CCN(C(C)c2ccncc2)CC1.
What is the InChIKey of N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine?
The InChIKey is HIBZWEHFVHUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-16-14-6-10-17(11-7-14)12(2)13-4-8-15-9-5-13/h4-5,8-9,12,14,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine?
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 60860637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).