N-prop-2-enylpiperidin-1-amine;hydrochloride

C8H17ClN2 — CID 174988706

IUPACN-prop-2-enylpiperidin-1-amine;hydrochloride
SMILESC=CCNN1CCCCC1.Cl
InChIInChI=1S/C8H16N2.ClH/c1-2-6-9-10-7-4-3-5-8-10;/h2,9H,1,3-8H2;1H
InChIKeyCGGUDWOQHWBYRB-UHFFFAOYSA-N
MW176.69 g/mol
LogP1.58
Rot. Bonds3

About N-prop-2-enylpiperidin-1-amine;hydrochloride

N-prop-2-enylpiperidin-1-amine;hydrochloride (PubChem CID 174988706) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is N-prop-2-enylpiperidin-1-amine;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enylpiperidin-1-amine;hydrochloride
PubChem CID174988706
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC NameN-prop-2-enylpiperidin-1-amine;hydrochloride
SMILESC=CCNN1CCCCC1.Cl
InChIInChI=1S/C8H16N2.ClH/c1-2-6-9-10-7-4-3-5-8-10;/h2,9H,1,3-8H2;1H
InChIKeyCGGUDWOQHWBYRB-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.58
H-Bond Donors ≤ 51
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-prop-2-enylpiperidin-1-amine;hydrochloride?
The IUPAC name of N-prop-2-enylpiperidin-1-amine;hydrochloride (CID 174988706) is N-prop-2-enylpiperidin-1-amine;hydrochloride.
What is the SMILES notation for N-prop-2-enylpiperidin-1-amine;hydrochloride?
The canonical SMILES for N-prop-2-enylpiperidin-1-amine;hydrochloride is C=CCNN1CCCCC1.Cl.
What is the InChIKey of N-prop-2-enylpiperidin-1-amine;hydrochloride?
The InChIKey is CGGUDWOQHWBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c1-2-6-9-10-7-4-3-5-8-10;/h2,9H,1,3-8H2;1H.
What are the key properties of N-prop-2-enylpiperidin-1-amine;hydrochloride?
N-prop-2-enylpiperidin-1-amine;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpiperidin-1-amine;hydrochloride is sourced from PubChem (CID 174988706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).