(3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride

C9H18ClNO — CID 69042132

IUPAC(3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride
SMILESC=CCOC[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-6-11-8-9-4-3-5-10-7-9;/h2,9-10H,1,3-8H2;1H/t9-;/m1./s1
InChIKeyYREGPNBCSYPBNJ-SBSPUUFOSA-N
MW191.70 g/mol
LogP1.61
Rot. Bonds4

About (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride

(3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride (PubChem CID 69042132) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride
PubChem CID69042132
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name(3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride
SMILESC=CCOC[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-2-6-11-8-9-4-3-5-10-7-9;/h2,9-10H,1,3-8H2;1H/t9-;/m1./s1
InChIKeyYREGPNBCSYPBNJ-SBSPUUFOSA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride?
The IUPAC name of (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride (CID 69042132) is (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride.
What is the SMILES notation for (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride?
The canonical SMILES for (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride is C=CCOC[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride?
The InChIKey is YREGPNBCSYPBNJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-2-6-11-8-9-4-3-5-10-7-9;/h2,9-10H,1,3-8H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride?
(3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(prop-2-enoxymethyl)piperidine;hydrochloride is sourced from PubChem (CID 69042132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).