1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine

C14H26N2 — CID 24690660

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine
SMILESCC(C1CC2CCC1C2)N1CCC(N)CC1
InChIInChI=1S/C14H26N2/c1-10(16-6-4-13(15)5-7-16)14-9-11-2-3-12(14)8-11/h10-14H,2-9,15H2,1H3
InChIKeyPUMGPYIYSIRPEL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.23
Rot. Bonds2

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine (PubChem CID 24690660) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine
PubChem CID24690660
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine
SMILESCC(C1CC2CCC1C2)N1CCC(N)CC1
InChIInChI=1S/C14H26N2/c1-10(16-6-4-13(15)5-7-16)14-9-11-2-3-12(14)8-11/h10-14H,2-9,15H2,1H3
InChIKeyPUMGPYIYSIRPEL-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine (CID 24690660) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine is CC(C1CC2CCC1C2)N1CCC(N)CC1.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine?
The InChIKey is PUMGPYIYSIRPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10(16-6-4-13(15)5-7-16)14-9-11-2-3-12(14)8-11/h10-14H,2-9,15H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 24690660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).