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

C17H32N2 — CID 43178311

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H32N2/c1-3-8-19-9-6-16(7-10-19)18-13(2)17-12-14-4-5-15(17)11-14/h13-18H,3-12H2,1-2H3
InChIKeyMQQPXVPCOTZNQI-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds5

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 43178311) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine
PubChem CID43178311
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)C2CC3CCC2C3)CC1
InChIInChI=1S/C17H32N2/c1-3-8-19-9-6-16(7-10-19)18-13(2)17-12-14-4-5-15(17)11-14/h13-18H,3-12H2,1-2H3
InChIKeyMQQPXVPCOTZNQI-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine (CID 43178311) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC(C)C2CC3CCC2C3)CC1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is MQQPXVPCOTZNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-8-19-9-6-16(7-10-19)18-13(2)17-12-14-4-5-15(17)11-14/h13-18H,3-12H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 264.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43178311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).