(3S)-3-prop-2-enoxypiperidine;hydrochloride

C8H16ClNO — CID 69041856

IUPAC(3S)-3-prop-2-enoxypiperidine;hydrochloride
SMILESC=CCO[C@H]1CCCNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h2,8-9H,1,3-7H2;1H/t8-;/m0./s1
InChIKeyHOSHQSIPLYSCMV-QRPNPIFTSA-N
MW177.67 g/mol
LogP1.36
Rot. Bonds3

About (3S)-3-prop-2-enoxypiperidine;hydrochloride

(3S)-3-prop-2-enoxypiperidine;hydrochloride (PubChem CID 69041856) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (3S)-3-prop-2-enoxypiperidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-prop-2-enoxypiperidine;hydrochloride
PubChem CID69041856
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(3S)-3-prop-2-enoxypiperidine;hydrochloride
SMILESC=CCO[C@H]1CCCNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h2,8-9H,1,3-7H2;1H/t8-;/m0./s1
InChIKeyHOSHQSIPLYSCMV-QRPNPIFTSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.36
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 (3S)-3-prop-2-enoxypiperidine;hydrochloride?
The IUPAC name of (3S)-3-prop-2-enoxypiperidine;hydrochloride (CID 69041856) is (3S)-3-prop-2-enoxypiperidine;hydrochloride.
What is the SMILES notation for (3S)-3-prop-2-enoxypiperidine;hydrochloride?
The canonical SMILES for (3S)-3-prop-2-enoxypiperidine;hydrochloride is C=CCO[C@H]1CCCNC1.Cl.
What is the InChIKey of (3S)-3-prop-2-enoxypiperidine;hydrochloride?
The InChIKey is HOSHQSIPLYSCMV-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-6-10-8-4-3-5-9-7-8;/h2,8-9H,1,3-7H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-prop-2-enoxypiperidine;hydrochloride?
(3S)-3-prop-2-enoxypiperidine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-2-enoxypiperidine;hydrochloride is sourced from PubChem (CID 69041856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).