N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride

C22H33ClN2 — CID 163326605

IUPACN-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride
SMILESCCN(Cc1ccccc1)C1CCN(CC2CC3C=CC2C3)CC1.Cl
InChIInChI=1S/C22H32N2.ClH/c1-2-24(16-18-6-4-3-5-7-18)22-10-12-23(13-11-22)17-21-15-19-8-9-20(21)14-19;/h3-9,19-22H,2,10-17H2,1H3;1H
InChIKeySZANMSCPXFDGHW-UHFFFAOYSA-N
MW360.97 g/mol
LogP4.61
Rot. Bonds6

About N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride

N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride (PubChem CID 163326605) has the molecular formula C22H33ClN2 and a molecular weight of 360.97 g/mol. Its IUPAC name is N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride
PubChem CID163326605
Molecular FormulaC22H33ClN2
Molecular Weight360.97 g/mol
Exact Mass360.23
IUPAC NameN-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride
SMILESCCN(Cc1ccccc1)C1CCN(CC2CC3C=CC2C3)CC1.Cl
InChIInChI=1S/C22H32N2.ClH/c1-2-24(16-18-6-4-3-5-7-18)22-10-12-23(13-11-22)17-21-15-19-8-9-20(21)14-19;/h3-9,19-22H,2,10-17H2,1H3;1H
InChIKeySZANMSCPXFDGHW-UHFFFAOYSA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.97
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride (CID 163326605) is N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride is CCN(Cc1ccccc1)C1CCN(CC2CC3C=CC2C3)CC1.Cl.
What is the InChIKey of N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride?
The InChIKey is SZANMSCPXFDGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2.ClH/c1-2-24(16-18-6-4-3-5-7-18)22-10-12-23(13-11-22)17-21-15-19-8-9-20(21)14-19;/h3-9,19-22H,2,10-17H2,1H3;1H.
What are the key properties of N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride?
N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride has a molecular weight of 360.97 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-ethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 163326605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).